Ferulic acid

Overview

DrugBank ID
DB07767
Type
Small Molecule
US Approved
NO
Other Approved
NO
Clinical Trials
Phase 0
0
Phase 1
0
Phase 2
0
Phase 3
0
Phase 4
0

Identification

Generic Name
Ferulic acid
DrugBank Accession Number
DB07767
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 194.184
Monoisotopic: 194.057908808
Chemical Formula
C10H10O4
Synonyms
Not Available
External IDs
  • NSC-2821
  • NSC-51986
  • NSC-674320

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
ACarbonic anhydrase 12
inhibitor
Humans
ACarbonic anhydrase 2
inhibitor
Humans
ACarbonic anhydrase 14
inhibitor
Humans
ACarbonic anhydrase 9
inhibitor
Humans
ACarbonic anhydrase 6
inhibitor
Humans
ACarbonic anhydrase 1
inhibitor
Humans
ACarbonic anhydrase 4
inhibitor
Humans
AAmine oxidase [flavin-containing] B
inhibitor
Humans
UEndo-1,4-beta-xylanase YNot AvailableClostridium thermocellum
UEndo-1,4-beta-xylanase ZNot AvailableClostridium thermocellum (strain ATCC 27405 / DSM 1237)
UEst1eNot AvailableButyrivibrio proteoclasticus
UO-methyltransferaseNot AvailableSynechocystis sp. (strain PCC 6803 / Kazusa)
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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.
DrugInteraction
AbciximabThe risk or severity of bleeding can be increased when Abciximab is combined with Ferulic acid.
AcenocoumarolThe risk or severity of bleeding can be increased when Acenocoumarol is combined with Ferulic acid.
AlteplaseThe risk or severity of bleeding can be increased when Alteplase is combined with Ferulic acid.
AncrodThe risk or severity of bleeding can be increased when Ancrod is combined with Ferulic acid.
AnistreplaseThe risk or severity of bleeding can be increased when Anistreplase is combined with Ferulic acid.
Food Interactions
  • Avoid herbs and supplements with anticoagulant/antiplatelet activity. Examples include garlic, ginger, bilberry, danshen, piracetam, and ginkgo biloba.

Products

Drug product information from 10+ global regions
Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.
Access now
Access drug product information from over 10 global regions.
Access now
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Ferulic Acid CE Skin SerumFerulic acid (0.3 mg/30mL) + Ascorbic acid (0.3 mg/30mL) + Hyaluronic acid (0.3 mg/30mL) + Vitamin E (0.3 mg/30mL)SolutionTopicalGazebo Wellness SKIN LLC2024-10-01Not applicableUS flag
Niacinamide SerumFerulic acid (5 mg/50mL) + Aloe vera leaf (7.5 mg/50mL) + Apple (12.5 mg/50mL) + Nicotinamide (15 mg/50mL)LiquidCutaneousShantou Youjia E-Commerce Co., Ltd.2024-02-012024-12-31US flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Ferulic Acid CE Skin SerumFerulic acid (0.3 mg/30mL) + Ascorbic acid (0.3 mg/30mL) + Hyaluronic acid (0.3 mg/30mL) + Vitamin E (0.3 mg/30mL)SolutionTopicalGazebo Wellness SKIN LLC2024-10-01Not applicableUS flag

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as hydroxycinnamic acids. These are compounds containing an cinnamic acid where the benzene ring is hydroxylated.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Sub Class
Hydroxycinnamic acids and derivatives
Direct Parent
Hydroxycinnamic acids
Alternative Parents
Coumaric acids and derivatives / Cinnamic acids / Methoxyphenols / Styrenes / Phenoxy compounds / Methoxybenzenes / Anisoles / Alkyl aryl ethers / 1-hydroxy-2-unsubstituted benzenoids / Monocarboxylic acids and derivatives
show 4 more
Substituents
1-hydroxy-2-unsubstituted benzenoid / Alkyl aryl ether / Anisole / Aromatic homomonocyclic compound / Benzenoid / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Cinnamic acid / Coumaric acid or derivatives
show 14 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
ferulic acids (CHEBI:17620) / Coniferyl alcohol derivatives (C01494)
Affected organisms
Not Available

Chemical Identifiers

UNII
AVM951ZWST
CAS number
1135-24-6
InChI Key
KSEBMYQBYZTDHS-HWKANZROSA-N
InChI
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
IUPAC Name
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
SMILES
COC1=CC(\C=C\C(O)=O)=CC=C1O

References

General References
Not Available
Human Metabolome Database
HMDB0000954
KEGG Compound
C01494
PubChem Compound
445858
PubChem Substance
99444238
ChemSpider
393368
BindingDB
50214744
RxNav
1368647
ChEBI
17620
ChEMBL
CHEMBL32749
ZINC
ZINC000000058258
PDBe Ligand
FER
Wikipedia
Ferulic_acid
PDB Entries
1gkl / 1gw2 / 1gwt / 1jt2 / 1kyz / 1uwc / 2bjh / 2bnj / 2wtn / 3cbg
show 19 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

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
SolutionTopical
LiquidCutaneous
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.906 mg/mLALOGPS
logP1.58ALOGPS
logP1.67Chemaxon
logS-2.3ALOGPS
pKa (Strongest Acidic)3.58Chemaxon
pKa (Strongest Basic)-4.9Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area66.76 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity51.5 m3·mol-1Chemaxon
Polarizability19.18 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9614
Blood Brain Barrier-0.5305
Caco-2 permeable+0.7183
P-glycoprotein substrateNon-substrate0.5662
P-glycoprotein inhibitor INon-inhibitor0.9018
P-glycoprotein inhibitor IINon-inhibitor0.8895
Renal organic cation transporterNon-inhibitor0.9086
CYP450 2C9 substrateNon-substrate0.7464
CYP450 2D6 substrateNon-substrate0.8922
CYP450 3A4 substrateNon-substrate0.6289
CYP450 1A2 substrateNon-inhibitor0.7513
CYP450 2C9 inhibitorNon-inhibitor0.5793
CYP450 2D6 inhibitorNon-inhibitor0.9588
CYP450 2C19 inhibitorNon-inhibitor0.6276
CYP450 3A4 inhibitorNon-inhibitor0.924
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.7745
Ames testNon AMES toxic0.9132
CarcinogenicityNon-carcinogens0.9076
BiodegradationReady biodegradable0.7554
Rat acute toxicity1.4314 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9754
hERG inhibition (predictor II)Non-inhibitor0.9575
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)GC-MSsplash10-05g4-1978000000-1097d5b300514a0489df
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)GC-MSsplash10-00kv-2964000000-3d20d62c97c33247cfcf
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)GC-MSsplash10-00ku-1965000000-ebee2a916fe97f0270a1
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)GC-MSsplash10-00di-9654000000-b3f1759076cffd2ac235
GC-MS Spectrum - GC-MS (2 TMS)GC-MSsplash10-000m-3975000000-5a41c311d78f7219474c
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-002e-0900000000-d76b7991f2d90cb58bd5
GC-MS Spectrum - EI-BGC-MSsplash10-0006-1900000000-5dffac87fe7c815de4ce
GC-MS Spectrum - EI-BGC-MSsplash10-0006-2900000000-8db541bacfe47b9e0c8b
GC-MS Spectrum - EI-BGC-MSsplash10-0006-2900000000-a338415bd30d4e62e664
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-05g4-1978000000-1097d5b300514a0489df
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00kv-2964000000-3d20d62c97c33247cfcf
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00ku-1965000000-ebee2a916fe97f0270a1
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00di-9654000000-b3f1759076cffd2ac235
GC-MS Spectrum - GC-MSGC-MSsplash10-000m-3975000000-5a41c311d78f7219474c
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00kv-1954000000-9dae07505bd18466be87
Mass Spectrum (Electron Ionization)MSsplash10-0006-5900000000-8c81de6c352294475072
MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)LC-MS/MSsplash10-004i-0900000000-d193da7a6efffdab2dbb
MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)LC-MS/MSsplash10-00kr-7900000000-b5b8d28b28c8067c3932
MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)LC-MS/MSsplash10-002r-9000000000-d3616a5367a7a2a9b3c6
MS/MS Spectrum - EI-B (HITACHI M-52) , PositiveLC-MS/MSsplash10-0006-1900000000-5dffac87fe7c815de4ce
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, NegativeLC-MS/MSsplash10-0006-0900000000-c173873ef0d975be6c34
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, NegativeLC-MS/MSsplash10-001i-0900000000-0b9174ecaba08b2f01b9
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, NegativeLC-MS/MSsplash10-001i-1900000000-eff77e27aef254928643
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, NegativeLC-MS/MSsplash10-001r-9700000000-18946fad05ffb1f78a7d
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, NegativeLC-MS/MSsplash10-001r-9300000000-e2221a73d3d078bf6e03
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , PositiveLC-MS/MSsplash10-0002-0900000000-653c9a454414dd8b8b50
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V, PositiveLC-MS/MSsplash10-002b-0900000000-62b2ee8bf9571be3d97f
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , NegativeLC-MS/MSsplash10-001i-0900000000-a7cded21e6010eb8bce2
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-0006-0900000000-c173873ef0d975be6c34
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-001i-0900000000-0b9174ecaba08b2f01b9
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-001i-1900000000-eff77e27aef254928643
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-001r-9700000000-18946fad05ffb1f78a7d
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-001r-9300000000-e2221a73d3d078bf6e03
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-001i-0900000000-a7cded21e6010eb8bce2
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-002b-0900000000-cdced9ddbcdaedf2f1b9
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-002b-0900000000-df06f7f58486ac25c21b
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0002-0900000000-653c9a454414dd8b8b50
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-002b-0900000000-62b2ee8bf9571be3d97f
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-000j-0900000000-1ef88466d8544694f557
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-000j-0900000000-bb82c87030f6232d5663
MS/MS Spectrum - , positiveLC-MS/MSsplash10-002b-2921111101-6d1aa599f0f132a3695d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ot-0900000000-f1811f297f901d875fd9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0900000000-df0f2933fa14d7743fe2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0900000000-6c3b88ba4461c83eb0c4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-017j-1900000000-ea4a0c77b2d0a5a018b4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-2900000000-89b557c9217363757337
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-9600000000-d8f5f5242d7aa8a5485d
1H NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-153.9785376
predicted
DarkChem Lite v0.1.0
[M-H]-154.2956376
predicted
DarkChem Lite v0.1.0
[M-H]-147.516
predicted
DeepCCS 1.0 (2019)
[M+H]+158.3912376
predicted
DarkChem Lite v0.1.0
[M+H]+154.9322376
predicted
DarkChem Lite v0.1.0
[M+H]+149.87402
predicted
DeepCCS 1.0 (2019)
[M+Na]+154.7431376
predicted
DarkChem Lite v0.1.0
[M+Na]+154.8830376
predicted
DarkChem Lite v0.1.0
[M+Na]+155.96729
predicted
DeepCCS 1.0 (2019)

Targets

Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock new
insights and accelerate drug research.
Learn more
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
Learn more
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Reversible hydration of carbon dioxide
Specific Function
carbonate dehydratase activity
Gene Name
CA12
Uniprot ID
O43570
Uniprot Name
Carbonic anhydrase 12
Molecular Weight
39450.615 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
Reversible hydration of carbon dioxide
Specific Function
carbonate dehydratase activity
Gene Name
CA14
Uniprot ID
Q9ULX7
Uniprot Name
Carbonic anhydrase 14
Molecular Weight
37667.37 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 interconversion between carbon dioxide and water and the dissociated ions of carbonic acid (i.e. bicarbonate and hydrogen ions)
Specific Function
carbonate dehydratase activity
Gene Name
CA9
Uniprot ID
Q16790
Uniprot Name
Carbonic anhydrase 9
Molecular Weight
49697.36 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
Reversible hydration of carbon dioxide. Its role in saliva is unknown
Specific Function
carbonate dehydratase activity
Gene Name
CA6
Uniprot ID
P23280
Uniprot Name
Carbonic anhydrase 6
Molecular Weight
35366.615 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:10550681, PubMed:16506782, PubMed:16686544, PubMed:16807956, PubMed:17127057, PubMed:17314045, PubMed:17407288, PubMed:18618712, PubMed:19186056, PubMed:19206230). Can hydrate cyanamide to urea (PubMed:10550681)
Specific Function
arylesterase activity
Gene Name
CA1
Uniprot ID
P00915
Uniprot Name
Carbonic anhydrase 1
Molecular Weight
28870.0 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 into bicarbonate and protons and thus is essential to maintaining intracellular and extracellular pH (PubMed:15563508, PubMed:16686544, PubMed:16807956, PubMed:17127057, PubMed:17314045, PubMed:17652713, PubMed:17705204, PubMed:18618712, PubMed:19186056, PubMed:19206230, PubMed:7625839). May stimulate the sodium/bicarbonate transporter activity of SLC4A4 that acts in pH homeostasis (PubMed:15563508). It is essential for acid overload removal from the retina and retina epithelium, and acid release in the choriocapillaris in the choroid (PubMed:15563508)
Specific Function
carbonate dehydratase activity
Gene Name
CA4
Uniprot ID
P22748
Uniprot Name
Carbonic anhydrase 4
Molecular Weight
35032.075 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 oxidative deamination of primary and some secondary amines such as neurotransmitters, and exogenous amines including the tertiary amine, neurotoxin 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP), with concomitant reduction of oxygen to hydrogen peroxide and participates in the metabolism of neuroactive and vasoactive amines in the central nervous system and peripheral tissues (PubMed:11049757, PubMed:11134050, PubMed:20493079, PubMed:8316221, PubMed:8665924). Preferentially degrades benzylamine and phenylethylamine (PubMed:11049757, PubMed:11134050, PubMed:20493079, PubMed:8316221, PubMed:8665924)
Specific Function
aliphatic amine oxidase activity
Gene Name
MAOB
Uniprot ID
P27338
Uniprot Name
Amine oxidase [flavin-containing] B
Molecular Weight
58762.475 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
Clostridium thermocellum
Pharmacological action
Unknown
General Function
Not Available
Specific Function
endo-1,4-beta-xylanase activity
Gene Name
xynY
Uniprot ID
P51584
Uniprot Name
Endo-1,4-beta-xylanase Y
Molecular Weight
119671.86 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Clostridium thermocellum (strain ATCC 27405 / DSM 1237)
Pharmacological action
Unknown
General Function
Not Available
Specific Function
carbohydrate binding
Gene Name
xynZ
Uniprot ID
P10478
Uniprot Name
Endo-1,4-beta-xylanase Z
Molecular Weight
92262.3 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Butyrivibrio proteoclasticus
Pharmacological action
Unknown
General Function
Not Available
Specific Function
Not Available
Gene Name
Not Available
Uniprot ID
D2YW37
Uniprot Name
Est1e
Molecular Weight
28020.97 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Synechocystis sp. (strain PCC 6803 / Kazusa)
Pharmacological action
Unknown
General Function
Not Available
Specific Function
metal ion binding
Gene Name
Not Available
Uniprot ID
Q55813
Uniprot Name
O-methyltransferase
Molecular Weight
24312.805 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]

Transporters

Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Substrate
General Function
Bidirectional proton-coupled monocarboxylate transporter (PubMed:12946269, PubMed:32946811, PubMed:33333023). Catalyzes the rapid transport across the plasma membrane of many monocarboxylates such as lactate, pyruvate, acetate and the ketone bodies acetoacetate and beta-hydroxybutyrate, and thus contributes to the maintenance of intracellular pH (PubMed:12946269, PubMed:33333023). The transport direction is determined by the proton motive force and the concentration gradient of the substrate monocarboxylate. MCT1 is a major lactate exporter (By similarity). Plays a role in cellular responses to a high-fat diet by modulating the cellular levels of lactate and pyruvate that contribute to the regulation of central metabolic pathways and insulin secretion, with concomitant effects on plasma insulin levels and blood glucose homeostasis (By similarity). Facilitates the protonated monocarboxylate form of succinate export, that its transient protonation upon muscle cell acidification in exercising muscle and ischemic heart (PubMed:32946811). Functions via alternate outward- and inward-open conformation states. Protonation and deprotonation of 309-Asp is essential for the conformational transition (PubMed:33333023)
Specific Function
carboxylic acid transmembrane transporter activity
Gene Name
SLC16A1
Uniprot ID
P53985
Uniprot Name
Monocarboxylate transporter 1
Molecular Weight
53943.685 Da
References
  1. Ziegler K, Kerimi A, Poquet L, Williamson G: Butyric acid increases transepithelial transport of ferulic acid through upregulation of the monocarboxylate transporters SLC16A1 (MCT1) and SLC16A3 (MCT4). Arch Biochem Biophys. 2016 Jun 1;599:3-12. doi: 10.1016/j.abb.2016.01.018. Epub 2016 Feb 9. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Substrate
General Function
Proton-dependent transporter of monocarboxylates such as L-lactate and pyruvate (PubMed:11101640, PubMed:23935841, PubMed:31719150). Plays a predominant role in L-lactate efflux from highly glycolytic cells (By similarity)
Specific Function
lactate
Gene Name
SLC16A3
Uniprot ID
O15427
Uniprot Name
Monocarboxylate transporter 4
Molecular Weight
49468.9 Da
References
  1. Ziegler K, Kerimi A, Poquet L, Williamson G: Butyric acid increases transepithelial transport of ferulic acid through upregulation of the monocarboxylate transporters SLC16A1 (MCT1) and SLC16A3 (MCT4). Arch Biochem Biophys. 2016 Jun 1;599:3-12. doi: 10.1016/j.abb.2016.01.018. Epub 2016 Feb 9. [Article]

Drug created at September 15, 2010 21:25 / Updated at August 26, 2024 19:21