Acetate

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Acetate
DrugBank Accession Number
DB14511
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 59.044
Monoisotopic: 59.01330434
Chemical Formula
C2H3O2
Synonyms
  • Acetate
  • Acetate anion
  • Acetate ion
  • Acetate ion (1-)
  • Acetic acid anion
  • Acetic acid, ion(1-)
  • Acetoxy ion
  • Azetat

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
AMacrophage metalloelastase
inhibitor
Humans
ACalmodulin-1
inhibitor
Humans
ASuperoxide dismutase [Cu-Zn]
inhibitor
Humans
A4-aminobutyrate aminotransferase, mitochondrial
inhibitor
Humans
AAngiotensin-converting enzyme
inhibitor
Humans
AGlutamine--fructose-6-phosphate aminotransferase [isomerizing]
inhibitor
Escherichia coli (strain K12)
ATyrosine-protein phosphatase non-receptor type 1
inhibitor
Humans
ANitric oxide synthase 1
inhibitor
Humans
ADihydroorotate dehydrogenase (quinone), mitochondrial
inhibitor
Plasmodium falciparum (isolate 3D7)
AChymotrypsin-like elastase family member 1
inhibitor
Humans
AEstrogen receptor beta
inhibitor
Humans
AHypoxanthine-guanine-xanthine phosphoribosyltransferase
inhibitor
Plasmodium falciparum (isolate FCR-3 / Gambia)
A4-hydroxyphenylpyruvate dioxygenase
inhibitor
Humans
ANitric oxide synthase 3
inhibitor
Humans
AThioredoxin
inhibitor
Humans
ACarbonic anhydrase 2
inhibitor
Humans
ALeukotriene A-4 hydrolase
inhibitor
Humans
ACalmodulin-2
inhibitor
Humans
ACalmodulin-3
inhibitor
Humans
AAldo-keto reductase family 1 member C3
inhibitor
Humans
APhospholipase A2
inhibitor
Humans
ABeta-lactamase
inhibitor
Staphylococcus aureus
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
NUTRIFLEX LIPID PERI INFUZYONLUK IV EMULSIYON, 1870 MLAcetate (60 mmol) + Alanine (7.28 g) + Arginine (4.05 g) + Aspartic acid (2.25 g) + Calcium (4.5 mmol) + Calcium chloride dihydrate (0.662 g) + Chlorine (72 mmol) + D-glucose (120 g) + Glutamic acid (5.25 g) + Glycine (2.48 g) + Histidine (1.88 g) + Isoleucine (3.51 g) + Leucine (4.7 g) + Lysine (3.39 g) + Magnesium (4.5 mmol) + Magnesium acetate tetrahydrate (0.966 g) + Medium-chain triglycerides (37.5 g) + Methionine (2.94 g) + Phenylalanine (5.27 g) + Potassium (45 mmol) + Potassium acetate (4.415 g) + Proline (5.1 g) + Serine (4.5 g) + Sodium acetate trihydrate (0.816 g) + Sodium cation (75 mmol) + Sodium chloride (1.622 g) + Sodium hydroxide (1.2 g) + Sodium phosphate, monobasic, dihydrate (1.755 g) + Soybean oil (37.5 g) + Threonine (2.73 g) + Tryptophan (0.86 g) + Valine (3.9 g) + Zinc (0.045 mmol) + Zinc acetate dihydrate (9.938 mg)Injection, emulsionIntravenousB.BRAUN MEDİKAL DIŞ TİC. A.Ş.2005-11-162018-10-12Turkey flag
NUTRIFLEX LIPID PERI INFUZYONLUK IV EMULSIYON, 2500 MLAcetate (80 mmol) + Alanine (9.7 g) + Arginine (5.4 g) + Aspartic acid (3 g) + Calcium (6 mmol) + Calcium chloride dihydrate (0.882 g) + Chlorine (96 mmol) + D-glucose (160 g) + Glutamic acid (7 g) + Glycine (3.3 g) + Histidine (2.5 g) + Isoleucine (4.68 g) + Leucine (6.26 g) + Lysine (4.52 g) + Magnesium (6 mmol) + Magnesium acetate tetrahydrate (1.288 g) + Medium-chain triglycerides (50 g) + Methionine (3.92 g) + Phenylalanine (7.02 g) + Potassium (60 mmol) + Potassium acetate (5.886 g) + Proline (6.8 g) + Serine (6 g) + Sodium acetate trihydrate (1.088 g) + Sodium cation (100 mmol) + Sodium chloride (2.162 g) + Sodium hydroxide (1.6 g) + Sodium phosphate, monobasic, dihydrate (2.34 g) + Soybean oil (50 g) + Threonine (3.64 g) + Tryptophan (1.14 g) + Valine (5.2 g) + Zinc (0.06 mmol) + Zinc acetate dihydrate (13.25 mg)Injection, emulsionIntravenousB.BRAUN MEDİKAL DIŞ TİC. A.Ş.2020-08-142018-10-12Turkey flag
NUTRIFLEX LIPID PLUS INFUZYONLUK EMULSIYON, 1250 MLAcetate (45 mmol) + Alanine (5.82 g) + Arginine (3.24 g) + Aspartic acid (1.8 g) + Calcium (4 mmol) + Calcium chloride dihydrate (0.588 g) + Chlorine (45 mmol) + D-glucose (150 g) + Glutamic acid (4.21 g) + Glycine (1.98 g) + Histidine (1.5 g) + Isoleucine (2.82 g) + Leucine (3.76 g) + Lysine (2.73 g) + Magnesium (4 mmol) + Magnesium acetate tetrahydrate (0.858 g) + Medium-chain triglycerides (25 g) + Methionine (2.35 g) + Phenylalanine (4.21 g) + Phosphate ion (15 mmol) + Potassium (35 mmol) + Potassium acetate (3.434 g) + Proline (4.08 g) + Serine (3.6 g) + Sodium acetate trihydrate (0.277 g) + Sodium cation (50 mmol) + Sodium chloride (0.503 g) + Sodium hydroxide (0.976 g) + Sodium phosphate, monobasic, dihydrate (2.34 g) + Soybean oil (25 g) + Threonine (2.18 g) + Tryptophan (0.68 g) + Valine (3.12 g) + Zinc (0.03 mmol) + Zinc acetate dihydrate (6.58 mg)Injection, emulsionIntravenousB.BRAUN MEDİKAL DIŞ TİC. A.Ş.2005-11-162018-10-03Turkey flag
NUTRIFLEX LIPID PLUS INFUZYONLUK EMULSIYON, 1870 MLAcetate (67.5 mmol) + Alanine (8.73 g) + Arginine (4.86 g) + Aspartic acid (2.7 g) + Calcium (6 mmol) + Calcium chloride dihydrate (0.882 g) + Chlorine (67.5 mmol) + D-glucose (225 g) + Glutamic acid (6.32 g) + Glycine (2.97 g) + Histidine (2.25 g) + Isoleucine (4.23 g) + Leucine (5.64 g) + Lysine (4.1 g) + Magnesium (6 mmol) + Magnesium acetate tetrahydrate (1.287 g) + Medium-chain triglycerides (37.5 g) + Methionine (3.53 g) + Phenylalanine (6.32 g) + Phosphate ion (22.5 mmol) + Potassium (52.5 mmol) + Potassium acetate (5.151 g) + Proline (6.12 g) + Serine (5.4 g) + Sodium acetate trihydrate (0.416 g) + Sodium cation (75 mmol) + Sodium chloride (0.755 g) + Sodium hydroxide (1.464 g) + Sodium phosphate, monobasic, dihydrate (3.51 g) + Soybean oil (37.5 g) + Threonine (3.27 g) + Tryptophan (1.02 g) + Valine (4.68 g) + Zinc (0.045 mmol) + Zinc acetate dihydrate (9.87 mg)Injection, emulsionIntravenousB.BRAUN MEDİKAL DIŞ TİC. A.Ş.2005-11-162018-10-03Turkey flag
NUTRIFLEX LIPID PLUS INFUZYONLUK EMULSIYON, 2500 MLAcetate (90 mmol) + Alanine (11.64 g) + Arginine (6.48 g) + Aspartic acid (3.6 g) + Calcium (8 mmol) + Calcium chloride dihydrate (1.176 g) + Chlorine (90 mmol) + D-glucose (300 g) + Glutamic acid (8.42 g) + Glycine (3.96 g) + Histidine (3 g) + Isoleucine (5.64 g) + Leucine (7.52 g) + Lysine (5.46 g) + Magnesium (8 mmol) + Magnesium acetate tetrahydrate (1.716 g) + Medium-chain triglycerides (50 g) + Methionine (4.7 g) + Phenylalanine (8.42 g) + Phosphate ion (30 mmol) + Potassium (70 mmol) + Potassium acetate (6.868 g) + Proline (8.16 g) + Serine (7.2 g) + Sodium acetate trihydrate (0.554 g) + Sodium cation (100 mmol) + Sodium chloride (1.006 g) + Sodium hydroxide (1.952 g) + Sodium phosphate, monobasic, dihydrate (4.68 g) + Soybean oil (50 g) + Threonine (4.36 g) + Tryptophan (1.36 g) + Valine (6.24 g) + Zinc (0.06 mmol) + Zinc acetate dihydrate (13.16 mg)Injection, emulsionIntravenousB.BRAUN MEDİKAL DIŞ TİC. A.Ş.2020-08-142018-10-03Turkey flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
V-NatalAcetate (30 [iU]/1) + Calcium carbonate (45 mg/1) + Cholecalciferol (450 [iU]/1) + Choline bitartrate (55 mg/1) + Cyanocobalamin (10 ug/1) + Ferrous bisglycinate (32 mg/1) + Folic acid (1000 ug/1) + Calcium formate (155 mg/1) + Nicotinamide (20 mg/1) + Potassium Iodide (100 ug/1) + Pyridoxine (50 mg/1) + Riboflavin (3 mg/1) + Sodium ascorbate (120 mg/1) + Thiamine mononitrate (3 mg/1) + Zinc oxide (10 mg/1)Tablet, coatedOralVirtus Pharmaceuticals2012-07-122013-02-19US flag
Virt-Bal DHA PlusAcetate (3 mg/1) + Beta carotene (2850 [iU]/1) + Calcium carbonate (219 mg/1) + Cholecalciferol (840 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (12 ug/1) + Doconexent (262 mg/1) + Ferrous bisglycinate hydrochloride (26.49 mg/1) + Folic acid (1 mg/1) + Icosapent (112 mg/1) + Iodine (220 ug/1) + Magnesium oxide (25 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine (50 mg/1) + Riboflavin (4 mg/1) + Sodium ascorbate (120 mg/1) + Thiamine mononitrate (1.8 mg/1) + Zinc oxide (25 mg/1)KitOralVirtus Pharmaceuticals2012-07-122013-02-09US flag

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Carboxylic acids
Direct Parent
Carboxylic acids
Alternative Parents
Monocarboxylic acids and derivatives / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds / Organic anions
Substituents
Aliphatic acyclic compound / Carbonyl group / Carboxylic acid / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Organic anion / Organic oxide / Organic oxygen compound / Organooxygen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
monocarboxylic acid anion (CHEBI:30089) / a carboxylate (ACET)
Affected organisms
Not Available

Chemical Identifiers

UNII
569DQM74SC
CAS number
71-50-1
InChI Key
QTBSBXVTEAMEQO-UHFFFAOYSA-M
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
IUPAC Name
acetate
SMILES
CC([O-])=O

References

General References
Not Available
ChemSpider
170
BindingDB
50159793
RxNav
164
ChEBI
30089
PDBe Ligand
ACT
Wikipedia
Acetate
PDB Entries
19hc / 1a44 / 1agn / 1aok / 1aq0 / 1as4 / 1atg / 1avq / 1b2h / 1b32
show 6856 more

Clinical Trials

Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package
PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
Not AvailableCompletedBasic ScienceBrain Function / Cerebral Blood Flows1somestatusstop reasonjust information to hide
2RecruitingTreatmentAging / Vascular Stiffness / Vasodilation1somestatusstop reasonjust information to hide

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Injection, emulsionIntravenous
EmulsionIntravenous
Tablet, film coatedOral
Tablet, coatedOral
SolutionIntravenous
KitOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility490.0 mg/mLALOGPS
logP-0.29ALOGPS
logP-0.22Chemaxon
logS0.8ALOGPS
pKa (Strongest Acidic)4.54Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area40.13 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity23.48 m3·mol-1Chemaxon
Polarizability4.96 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-94.2551205
predicted
DarkChem Lite v0.1.0
[M-H]-116.97008
predicted
DeepCCS 1.0 (2019)
[M-H]-94.2551205
predicted
DarkChem Lite v0.1.0
[M-H]-116.97008
predicted
DeepCCS 1.0 (2019)
[M+H]+118.73413
predicted
DeepCCS 1.0 (2019)
[M+H]+118.73413
predicted
DeepCCS 1.0 (2019)
[M+Na]+127.25155
predicted
DeepCCS 1.0 (2019)
[M+Na]+127.25155
predicted
DeepCCS 1.0 (2019)

Targets

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Use our structured and evidence-based datasets to unlock new
insights and accelerate drug research.
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Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
May be involved in tissue injury and remodeling. Has significant elastolytic activity. Can accept large and small amino acids at the P1' site, but has a preference for leucine. Aromatic or hydrophobic residues are preferred at the P1 site, with small hydrophobic residues (preferably alanine) occupying P3
Specific Function
calcium ion binding
Gene Name
MMP12
Uniprot ID
P39900
Uniprot Name
Macrophage metalloelastase
Molecular Weight
54001.175 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Calmodulin acts as part of a calcium signal transduction pathway by mediating the control of a large number of enzymes, ion channels, aquaporins and other proteins through calcium-binding (PubMed:16760425, PubMed:23893133, PubMed:26969752, PubMed:27165696, PubMed:28890335, PubMed:31454269, PubMed:35568036). Calcium-binding is required for the activation of calmodulin (PubMed:16760425, PubMed:23893133, PubMed:26969752, PubMed:27165696, PubMed:28890335, PubMed:31454269, PubMed:35568036). Among the enzymes to be stimulated by the calmodulin-calcium complex are a number of protein kinases, such as myosin light-chain kinases and calmodulin-dependent protein kinase type II (CaMK2), and phosphatases (PubMed:16760425, PubMed:23893133, PubMed:26969752, PubMed:27165696, PubMed:28890335, PubMed:31454269, PubMed:35568036). Together with CCP110 and centrin, is involved in a genetic pathway that regulates the centrosome cycle and progression through cytokinesis (PubMed:16760425). Is a regulator of voltage-dependent L-type calcium channels (PubMed:31454269). Mediates calcium-dependent inactivation of CACNA1C (PubMed:26969752). Positively regulates calcium-activated potassium channel activity of KCNN2 (PubMed:27165696). Forms a potassium channel complex with KCNQ1 and regulates electrophysiological activity of the channel via calcium-binding (PubMed:25441029). Acts as a sensor to modulate the endoplasmic reticulum contacts with other organelles mediated by VMP1:ATP2A2 (PubMed:28890335)
Specific Function
adenylate cyclase activator activity
Gene Name
CALM1
Uniprot ID
P0DP23
Uniprot Name
Calmodulin-1
Molecular Weight
16837.47 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Destroys radicals which are normally produced within the cells and which are toxic to biological systems
Specific Function
copper ion binding
Gene Name
SOD1
Uniprot ID
P00441
Uniprot Name
Superoxide dismutase [Cu-Zn]
Molecular Weight
15935.685 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Catalyzes the conversion of gamma-aminobutyrate and L-beta-aminoisobutyrate to succinate semialdehyde and methylmalonate semialdehyde, respectively (PubMed:10407778, PubMed:15528998). Can also convert delta-aminovalerate and beta-alanine (By similarity)
Specific Function
(S)-3-amino-2-methylpropionate transaminase activity
Gene Name
ABAT
Uniprot ID
P80404
Uniprot Name
4-aminobutyrate aminotransferase, mitochondrial
Molecular Weight
56438.405 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Dipeptidyl carboxypeptidase that removes dipeptides from the C-terminus of a variety of circulating hormones, such as angiotensin I, bradykinin or enkephalins, thereby playing a key role in the regulation of blood pressure, electrolyte homeostasis or synaptic plasticity (PubMed:15615692, PubMed:20826823, PubMed:2558109, PubMed:4322742, PubMed:7523412, PubMed:7683654). Composed of two similar catalytic domains, each possessing a functional active site, with different selectivity for substrates (PubMed:10913258, PubMed:1320019, PubMed:1851160, PubMed:19773553, PubMed:7683654, PubMed:7876104). Plays a major role in the angiotensin-renin system that regulates blood pressure and sodium retention by the kidney by converting angiotensin I to angiotensin II, resulting in an increase of the vasoconstrictor activity of angiotensin (PubMed:11432860, PubMed:1851160, PubMed:19773553, PubMed:23056909, PubMed:4322742). Also able to inactivate bradykinin, a potent vasodilator, and therefore enhance the blood pressure response (PubMed:15615692, PubMed:2558109, PubMed:4322742, PubMed:6055465, PubMed:6270633, PubMed:7683654). Acts as a regulator of synaptic transmission by mediating cleavage of neuropeptide hormones, such as substance P, neurotensin or enkephalins (PubMed:15615692, PubMed:6208535, PubMed:6270633, PubMed:656131). Catalyzes degradation of different enkephalin neuropeptides (Met-enkephalin, Leu-enkephalin, Met-enkephalin-Arg-Phe and possibly Met-enkephalin-Arg-Gly-Leu) (PubMed:2982830, PubMed:6270633, PubMed:656131). Acts as a regulator of synaptic plasticity in the nucleus accumbens of the brain by mediating cleavage of Met-enkephalin-Arg-Phe, a strong ligand of Mu-type opioid receptor OPRM1, into Met-enkephalin (By similarity). Met-enkephalin-Arg-Phe cleavage by ACE decreases activation of OPRM1, leading to long-term synaptic potentiation of glutamate release (By similarity). Also acts as a regulator of hematopoietic stem cell differentiation by mediating degradation of hemoregulatory peptide N-acetyl-SDKP (AcSDKP) (PubMed:26403559, PubMed:7876104, PubMed:8257427, PubMed:8609242). Acts as a regulator of cannabinoid signaling pathway by mediating degradation of hemopressin, an antagonist peptide of the cannabinoid receptor CNR1 (PubMed:18077343). Involved in amyloid-beta metabolism by catalyzing degradation of Amyloid-beta protein 40 and Amyloid-beta protein 42 peptides, thereby preventing plaque formation (PubMed:11604391, PubMed:16154999, PubMed:19773553). Catalyzes cleavage of cholecystokinin (maturation of Cholecystokinin-8 and Cholecystokinin-5) and Gonadoliberin-1 (both maturation and degradation) hormones (PubMed:10336644, PubMed:2983326, PubMed:7683654, PubMed:9371719). Degradation of hemoregulatory peptide N-acetyl-SDKP (AcSDKP) and amyloid-beta proteins is mediated by the N-terminal catalytic domain, while angiotensin I and cholecystokinin cleavage is mediated by the C-terminal catalytic region (PubMed:10336644, PubMed:19773553, PubMed:7876104)
Specific Function
actin binding
Gene Name
ACE
Uniprot ID
P12821
Uniprot Name
Angiotensin-converting enzyme
Molecular Weight
149713.675 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Yes
Actions
Inhibitor
General Function
Catalyzes the first step in hexosamine metabolism, converting fructose-6P into glucosamine-6P using glutamine as a nitrogen source.
Specific Function
carbohydrate derivative binding
Gene Name
glmS
Uniprot ID
P17169
Uniprot Name
Glutamine--fructose-6-phosphate aminotransferase [isomerizing]
Molecular Weight
66893.7 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Tyrosine-protein phosphatase which acts as a regulator of endoplasmic reticulum unfolded protein response. Mediates dephosphorylation of EIF2AK3/PERK; inactivating the protein kinase activity of EIF2AK3/PERK. May play an important role in CKII- and p60c-src-induced signal transduction cascades. May regulate the EFNA5-EPHA3 signaling pathway which modulates cell reorganization and cell-cell repulsion. May also regulate the hepatocyte growth factor receptor signaling pathway through dephosphorylation of MET
Specific Function
cadherin binding
Gene Name
PTPN1
Uniprot ID
P18031
Uniprot Name
Tyrosine-protein phosphatase non-receptor type 1
Molecular Weight
49966.44 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In the brain and peripheral nervous system, NO displays many properties of a neurotransmitter. Probably has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such SRR
Specific Function
arginine binding
Gene Name
NOS1
Uniprot ID
P29475
Uniprot Name
Nitric oxide synthase 1
Molecular Weight
160969.095 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Plasmodium falciparum (isolate 3D7)
Pharmacological action
Yes
Actions
Inhibitor
General Function
Catalyzes the conversion of dihydroorotate to orotate with quinone as electron acceptor.
Specific Function
dihydroorotate dehydrogenase (quinone) activity
Gene Name
Not Available
Uniprot ID
Q08210
Uniprot Name
Dihydroorotate dehydrogenase (quinone), mitochondrial
Molecular Weight
65557.87 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Serine proteases that hydrolyze many proteins in addition to elastin
Specific Function
metal ion binding
Gene Name
CELA1
Uniprot ID
Q9UNI1
Uniprot Name
Chymotrypsin-like elastase family member 1
Molecular Weight
27797.995 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Nuclear hormone receptor. Binds estrogens with an affinity similar to that of ESR1/ER-alpha, and activates expression of reporter genes containing estrogen response elements (ERE) in an estrogen-dependent manner (PubMed:20074560)
Specific Function
DNA binding
Gene Name
ESR2
Uniprot ID
Q92731
Uniprot Name
Estrogen receptor beta
Molecular Weight
59215.765 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Plasmodium falciparum (isolate FCR-3 / Gambia)
Pharmacological action
Yes
Actions
Inhibitor
General Function
Catalyzes the transfer of a ribosyl phosphate group from 5-phosphoribose 1-diphosphate to the N(9) of hypoxanthine, guanine or xanthine, leading to IMP, GMP and XMP, respectively. Plays a central role in the generation of purine nucleotides through the purine salvage pathway.
Specific Function
guanine phosphoribosyltransferase activity
Gene Name
LACZ
Uniprot ID
P20035
Uniprot Name
Hypoxanthine-guanine-xanthine phosphoribosyltransferase
Molecular Weight
26348.18 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Catalyzes the conversion of 4-hydroxyphenylpyruvic acid to homogentisic acid, one of the steps in tyrosine catabolism
Specific Function
4-hydroxyphenylpyruvate dioxygenase activity
Gene Name
HPD
Uniprot ID
P32754
Uniprot Name
4-hydroxyphenylpyruvate dioxygenase
Molecular Weight
44964.15 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Produces nitric oxide (NO) which is implicated in vascular smooth muscle relaxation through a cGMP-mediated signal transduction pathway (PubMed:1378832). NO mediates vascular endothelial growth factor (VEGF)-induced angiogenesis in coronary vessels and promotes blood clotting through the activation of platelets
Specific Function
actin monomer binding
Gene Name
NOS3
Uniprot ID
P29474
Uniprot Name
Nitric oxide synthase 3
Molecular Weight
133273.59 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Participates in various redox reactions through the reversible oxidation of its active center dithiol to a disulfide and catalyzes dithiol-disulfide exchange reactions (PubMed:17182577, PubMed:19032234, PubMed:2176490). Plays a role in the reversible S-nitrosylation of cysteine residues in target proteins, and thereby contributes to the response to intracellular nitric oxide. Nitrosylates the active site Cys of CASP3 in response to nitric oxide (NO), and thereby inhibits caspase-3 activity (PubMed:16408020, PubMed:17606900). Induces the FOS/JUN AP-1 DNA-binding activity in ionizing radiation (IR) cells through its oxidation/reduction status and stimulates AP-1 transcriptional activity (PubMed:11118054, PubMed:9108029)
Specific Function
protein homodimerization activity
Gene Name
TXN
Uniprot ID
P10599
Uniprot Name
Thioredoxin
Molecular Weight
11737.42 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Catalyzes the reversible hydration of carbon dioxide (PubMed:11327835, PubMed:11802772, PubMed:11831900, PubMed:12056894, PubMed:12171926, PubMed:1336460, PubMed:14736236, PubMed:15300855, PubMed:15453828, PubMed:15667203, PubMed:15865431, PubMed:16106378, PubMed:16214338, PubMed:16290146, PubMed:16686544, PubMed:16759856, PubMed:16807956, PubMed:17127057, PubMed:17251017, PubMed:17314045, PubMed:17330962, PubMed:17346964, PubMed:17540563, PubMed:17588751, PubMed:17705204, PubMed:18024029, PubMed:18162396, PubMed:18266323, PubMed:18374572, PubMed:18481843, PubMed:18618712, PubMed:18640037, PubMed:18942852, PubMed:1909891, PubMed:1910042, PubMed:19170619, PubMed:19186056, PubMed:19206230, PubMed:19520834, PubMed:19778001, PubMed:7761440, PubMed:7901850, PubMed:8218160, PubMed:8262987, PubMed:8399159, PubMed:8451242, PubMed:8485129, PubMed:8639494, PubMed:9265618, PubMed:9398308). Can also hydrate cyanamide to urea (PubMed:10550681, PubMed:11015219). Stimulates the chloride-bicarbonate exchange activity of SLC26A6 (PubMed:15990874). Essential for bone resorption and osteoclast differentiation (PubMed:15300855). Involved in the regulation of fluid secretion into the anterior chamber of the eye. Contributes to intracellular pH regulation in the duodenal upper villous epithelium during proton-coupled peptide absorption
Specific Function
arylesterase activity
Gene Name
CA2
Uniprot ID
P00918
Uniprot Name
Carbonic anhydrase 2
Molecular Weight
29245.895 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Bifunctional zinc metalloenzyme that comprises both epoxide hydrolase (EH) and aminopeptidase activities. Acts as an epoxide hydrolase to catalyze the conversion of LTA4 to the pro-inflammatory mediator leukotriene B4 (LTB4) (PubMed:11917124, PubMed:12207002, PubMed:15078870, PubMed:18804029, PubMed:1897988, PubMed:1975494, PubMed:2244921). Has also aminopeptidase activity, with high affinity for N-terminal arginines of various synthetic tripeptides (PubMed:18804029, PubMed:20813919). In addition to its pro-inflammatory EH activity, may also counteract inflammation by its aminopeptidase activity, which inactivates by cleavage another neutrophil attractant, the tripeptide Pro-Gly-Pro (PGP), a bioactive fragment of collagen generated by the action of matrix metalloproteinase-9 (MMP9) and prolylendopeptidase (PREPL) (PubMed:20813919, PubMed:24591641). Involved also in the biosynthesis of resolvin E1 and 18S-resolvin E1 from eicosapentaenoic acid, two lipid mediators that show potent anti-inflammatory and pro-resolving actions (PubMed:21206090)
Specific Function
aminopeptidase activity
Gene Name
LTA4H
Uniprot ID
P09960
Uniprot Name
Leukotriene A-4 hydrolase
Molecular Weight
69284.64 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Calmodulin acts as part of a calcium signal transduction pathway by mediating the control of a large number of enzymes, ion channels, aquaporins and other proteins through calcium-binding (PubMed:16760425, PubMed:26969752, PubMed:27165696). Calcium-binding is required for the activation of calmodulin (PubMed:16760425, PubMed:26969752, PubMed:27165696, PubMed:35568036). Among the enzymes to be stimulated by the calmodulin-calcium complex are a number of protein kinases, such as myosin light-chain kinases and calmodulin-dependent protein kinase type II (CaMK2), and phosphatases (PubMed:16760425, PubMed:26969752, PubMed:27165696, PubMed:35568036). Together with CCP110 and centrin, is involved in a genetic pathway that regulates the centrosome cycle and progression through cytokinesis (PubMed:16760425). Mediates calcium-dependent inactivation of CACNA1C (PubMed:26969752). Positively regulates calcium-activated potassium channel activity of KCNN2 (PubMed:27165696)
Specific Function
adenylate cyclase activator activity
Gene Name
CALM2
Uniprot ID
P0DP24
Uniprot Name
Calmodulin-2
Molecular Weight
16837.47 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Calmodulin acts as part of a calcium signal transduction pathway by mediating the control of a large number of enzymes, ion channels, aquaporins and other proteins through calcium-binding (PubMed:16760425, PubMed:31454269). Calcium-binding is required for the activation of calmodulin (PubMed:16760425, PubMed:31454269, PubMed:35568036). Among the enzymes to be stimulated by the calmodulin-calcium complex are a number of protein kinases, such as myosin light-chain kinases and calmodulin-dependent protein kinase type II (CaMK2), and phosphatases (PubMed:16760425, PubMed:35568036). Together with CCP110 and centrin, is involved in a genetic pathway that regulates the centrosome cycle and progression through cytokinesis (PubMed:16760425)
Specific Function
adenylate cyclase activator activity
Gene Name
CALM3
Uniprot ID
P0DP25
Uniprot Name
Calmodulin-3
Molecular Weight
16837.47 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Cytosolic aldo-keto reductase that catalyzes the NADH and NADPH-dependent reduction of ketosteroids to hydroxysteroids. Acts as a NAD(P)(H)-dependent 3-, 17- and 20-ketosteroid reductase on the steroid nucleus and side chain and regulates the metabolism of androgens, estrogens and progesterone (PubMed:10622721, PubMed:11165022, PubMed:7650035, PubMed:9415401, PubMed:9927279). Displays the ability to catalyze both oxidation and reduction in vitro, but most probably acts as a reductase in vivo since the oxidase activity measured in vitro is inhibited by physiological concentration of NADPH (PubMed:11165022, PubMed:14672942). Acts preferentially as a 17-ketosteroid reductase and has the highest catalytic efficiency of the AKR1C enzyme for the reduction of delta4-androstenedione to form testosterone (PubMed:20036328). Reduces prostaglandin (PG) D2 to 11beta-prostaglandin F2, progesterone to 20alpha-hydroxyprogesterone and estrone to 17beta-estradiol (PubMed:10622721, PubMed:10998348, PubMed:11165022, PubMed:15047184, PubMed:19010934, PubMed:20036328). Catalyzes the transformation of the potent androgen dihydrotestosterone (DHT) into the less active form, 5-alpha-androstan-3-alpha,17-beta-diol (3-alpha-diol) (PubMed:10557352, PubMed:10998348, PubMed:11165022, PubMed:14672942, PubMed:7650035, PubMed:9415401). Also displays retinaldehyde reductase activity toward 9-cis-retinal (PubMed:21851338)
Specific Function
15-hydroxyprostaglandin-D dehydrogenase (NADP+) activity
Gene Name
AKR1C3
Uniprot ID
P42330
Uniprot Name
Aldo-keto reductase family 1 member C3
Molecular Weight
36852.89 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Secretory calcium-dependent phospholipase A2 that primarily targets dietary phospholipids in the intestinal tract (PubMed:10681567, PubMed:1420353, PubMed:17603006). Hydrolyzes the ester bond of the fatty acyl group attached at sn-2 position of phospholipids (phospholipase A2 activity) with preference for phosphatidylethanolamines and phosphatidylglycerols over phosphatidylcholines (PubMed:10681567, PubMed:1420353, PubMed:17603006). May play a role in the biosynthesis of N-acyl ethanolamines that regulate energy metabolism and inflammation in the intestinal tract. Hydrolyzes N-acyl phosphatidylethanolamines to N-acyl lysophosphatidylethanolamines, which are further cleaved by a lysophospholipase D to release N-acyl ethanolamines (By similarity). May act in an autocrine and paracrine manner (PubMed:25335547, PubMed:7721806). Upon binding to the PLA2R1 receptor can regulate podocyte survival and glomerular homeostasis (PubMed:25335547). Has anti-helminth activity in a process regulated by gut microbiota. Upon helminth infection of intestinal epithelia, directly affects phosphatidylethanolamine contents in the membrane of helminth larvae, likely controlling an array of phospholipid-mediated cellular processes such as membrane fusion and cell division while providing for better immune recognition, ultimately reducing larvae integrity and infectivity (By similarity)
Specific Function
bile acid binding
Gene Name
PLA2G1B
Uniprot ID
P04054
Uniprot Name
Phospholipase A2
Molecular Weight
16359.535 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Staphylococcus aureus
Pharmacological action
Yes
Actions
Inhibitor
General Function
Not Available
Specific Function
beta-lactamase activity
Gene Name
blaZ
Uniprot ID
P00807
Uniprot Name
Beta-lactamase
Molecular Weight
31348.98 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]

Drug created at July 11, 2018 22:48 / Updated at October 03, 2024 04:24