Identification

Name
Benzoic acid
Accession Number
DB03793
Description

A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid. As the sodium salt form, sodium benzoate is used as a treatment for urea cycle disorders due to its ability to bind amino acids. This leads to excretion of these amino acids and a decrease in ammonia levels. Recent research shows that sodium benzoate may be beneficial as an add-on therapy (1 gram/day) in schizophrenia. Total Positive and Negative Syndrome Scale scores dropped by 21% compared to placebo.

Type
Small Molecule
Groups
Approved, Investigational
Structure
Thumb
Weight
Average: 122.123
Monoisotopic: 122.036779433
Chemical Formula
C7H6O2
Synonyms
  • Benzoic acid
External IDs
  • E-210
  • FEMA NO. 2131
  • INS NO.210
  • INS-210
  • NSC-149

Pharmacology

Indication
Not Available
Associated Conditions
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UD-amino-acid oxidaseNot AvailableHumans
UChlorocatechol 1,2-dioxygenase
substrate
Rhodococcus opacus
U2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolaseNot AvailablePseudomonas fluorescens
UNon-heme chloroperoxidaseNot AvailableStreptomyces aureofaciens
UOxygen-insensitive NAD(P)H nitroreductaseNot AvailableEnterobacter cloacae
UHydroxyquinol 1,2-dioxygenaseNot AvailableNocardioides simplex
UReplication proteinNot AvailablePseudomonas syringae
UCocaine esterase
product of
Rhodococcus sp. (strain MB1 Bresler)
USolute carrier family 15 member 1Not AvailableHumans
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism

Hover over products below to view reaction partners

Route of elimination
Not Available
Half-life
Not Available
Clearance
Not Available
Adverse Effects
Learn about our commercial Adverse Effects data.
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Toxicity
Not Available
Affected organisms
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
AcenocoumarolThe therapeutic efficacy of Acenocoumarol can be increased when used in combination with Benzoic acid.
AcyclovirThe excretion of Acyclovir can be decreased when combined with Benzoic acid.
AllopurinolThe excretion of Allopurinol can be decreased when combined with Benzoic acid.
AlprostadilThe excretion of Alprostadil can be decreased when combined with Benzoic acid.
Aminohippuric acidThe excretion of Aminohippuric acid can be decreased when combined with Benzoic acid.
AvibactamThe excretion of Avibactam can be decreased when combined with Benzoic acid.
BaricitinibThe excretion of Baricitinib can be decreased when combined with Benzoic acid.
Beclomethasone dipropionateThe therapeutic efficacy of Benzoic acid can be decreased when used in combination with Beclomethasone dipropionate.
BenzylpenicillinThe excretion of Benzylpenicillin can be decreased when combined with Benzoic acid.
BetamethasoneThe therapeutic efficacy of Benzoic acid can be decreased when used in combination with Betamethasone.
Additional Data Available
  • Extended Description
    Extended Description
    Available for Purchase

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity
    Available for Purchase

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level
    Available for Purchase

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action
    Available for Purchase

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
No interactions found.

Products

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Product Ingredients
IngredientUNIICASInChI Key
Sodium benzoateOJ245FE5EU532-32-1WXMKPNITSTVMEF-UHFFFAOYSA-M
Active Moieties
NameKindUNIICASInChI Key
Sodium cationionicLYR4M0NH3717341-25-2FKNQFGJONOIPTF-UHFFFAOYSA-N
Product Images
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Eyelids WipesCloth0.1 g/100gTopicalNingbo Riway Daily Commodity Co., Ltd2020-09-28Not applicableUS flag
Seo Jeong Ho Hwang Chill DeodorantLiquid0.5 g/100mLTopicalseo jeong ho hwang chill2020-07-24Not applicableUS flag
Seo Jeong Ho Hwang Chill MistLiquid0.5 g/100mLTopicalseo jeong ho hwang chill2020-07-24Not applicableUS flag
Additional Data Available
  • Application Number
    Application Number
    Available for Purchase

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

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  • Product Code
    Product Code
    Available for Purchase

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
AmmonulSodium benzoate (100 mg/1mL) + Sodium phenylacetate (100 mg/1mL)Injection, solution, concentrateIntravenousUcyclyd Pharma Inc.2005-02-17Not applicableUS flag
AmmonulSodium benzoate (100 mg/1mL) + Sodium phenylacetate (100 mg/1mL)Injection, solution, concentrateIntravenousBausch Health US LLC2005-02-17Not applicableUS flag
AmmonulSodium benzoate (100 mg/1mL) + Sodium phenylacetate (100 mg/1mL)Injection, solution, concentrateIntravenousCangene Bio Pharma2005-02-012010-02-18US flag
Camphorated Opium TinctureBenzoic acid (500 mg) + Camphor (300 mg) + Opium (5 ml)TinctureOralD.C. Labs Limited1951-12-312003-07-11Canada flag
GlycothymolineSodium benzoate (20 mg) + Sodium borate (20 mg)LiquidTopicalGlendale Agencies1951-12-311996-11-29Canada flag
HydroGold 9Sodium benzoate (0.5 mg/100mg) + Acetyl hexapeptide-3 (0.01 mg/100mg) + Adenosine (0.04 mg/100mg) + Allantoin (0.2 mg/100mg) + Butylene glycol (2 mg/100mg) + Castor oil (0.4 mg/100mg) + Dimethicone (0.01 mg/100mg) + Glycerin (20 mg/100mg) + Gold (0.0001 mg/100mg) + Nicotinamide (2 mg/100mg) + Phenoxyethanol (0.5 mg/100mg) + Potassium chloride (0.01 mg/100mg) + Titanium dioxide (0.43 mg/100mg) + Xanthan gum (0.5 mg/100mg)PatchTopicalBhmbg Global Branding Inc.2018-03-092019-12-31US flag
Larynsol LozBenzoic acid (5 mg) + Chlorobutanol (.6 mg) + Eucalyptol (3.2 mg)LozengeOralHerbes Universelles Inc.1979-12-312009-07-15Canada flag
Mrx LiqBenzoic acid (0.2 %) + Benzethonium chloride (0.13 %) + Camphor (0.7 %) + Ethanol (40 %)LiquidTopicalMahdeen Mediceuticals, Division of Zeron Inc.1972-12-312002-02-12Canada flag
Plax Anti-plaque Dental RinseSodium benzoate (2 %) + Sodium salicylate (0.2 %) + Sodium lauryl sulfate (0.25 %)LiquidDentalJohnson & Johnson1988-12-312010-08-04Canada flag
Sodium Phenylacetate and Sodium BenzoateSodium benzoate (100 mg/1mL) + Sodium phenylacetate (100 mg/1mL)Injection, solution, concentrateIntravenousOceanside Pharmaceuticals2017-03-15Not applicableUS flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Eyelids WipesBenzoic acid (0.1 g/100g)ClothTopicalNingbo Riway Daily Commodity Co., Ltd2020-09-28Not applicableUS flag
HydroGold 9Sodium benzoate (0.5 mg/100mg) + Acetyl hexapeptide-3 (0.01 mg/100mg) + Adenosine (0.04 mg/100mg) + Allantoin (0.2 mg/100mg) + Butylene glycol (2 mg/100mg) + Castor oil (0.4 mg/100mg) + Dimethicone (0.01 mg/100mg) + Glycerin (20 mg/100mg) + Gold (0.0001 mg/100mg) + Nicotinamide (2 mg/100mg) + Phenoxyethanol (0.5 mg/100mg) + Potassium chloride (0.01 mg/100mg) + Titanium dioxide (0.43 mg/100mg) + Xanthan gum (0.5 mg/100mg)PatchTopicalBhmbg Global Branding Inc.2018-03-092019-12-31US flag
HyophenBenzoic acid (9 mg/1) + Hyoscyamine sulfate dihydrate (0.12 mg/1) + Methenamine (81.6 mg/1) + Methylene blue trihydrate (10.8 mg/1) + Phenyl salicylate (36.2 mg/1)TabletOralStar Pharmaceuticals, Llc2010-09-21Not applicableUS flag00076 0901 01 nlmimage10 cc15e64f
HyophenBenzoic acid (9 mg/1) + Hyoscyamine sulfate dihydrate (0.12 mg/1) + Methenamine (81.6 mg/1) + Methylene blue trihydrate (10.8 mg/1) + Phenyl salicylate (36.2 mg/1)TabletOralBiocomp Pharma, Inc.2010-09-21Not applicableUS flag
MethylphenBenzoic acid (9 mg/1) + Hyoscyamine sulfate dihydrate (.12 mg/1) + Methenamine (81.6 mg/1) + Methylene blue trihydrate (10.8 mg/1) + Phenyl salicylate (36.2 mg/1)TabletOralKylemore Pharmaceuticals, LLC2010-01-132010-01-14US flag
Prosed/DSBenzoic acid (9.0 mg/1) + Hyoscyamine sulfate dihydrate (0.12 mg/1) + Methenamine (81.6 mg/1) + Methylene blue trihydrate (10.8 mg/1) + Phenyl salicylate (36.2 mg/1)TabletOralPhysicians Total Care, Inc.2010-09-152013-01-15US flag
Seo Jeong Ho Hwang Chill DeodorantSodium benzoate (0.5 g/100mL)LiquidTopicalseo jeong ho hwang chill2020-07-24Not applicableUS flag
Seo Jeong Ho Hwang Chill MistSodium benzoate (0.5 g/100mL)LiquidTopicalseo jeong ho hwang chill2020-07-24Not applicableUS flag
UrisedBenzoic acid (4.5 mg/1) + Atropine sulfate (0.03 mg/1) + Hyoscyamine (0.03 mg/1) + Methenamine (40.8 mg/1) + Methylene blue trihydrate (5.4 mg/1) + Phenyl salicylate (18.1 mg/1)TabletOralKey Therapeutics2019-01-17Not applicableUS flag
Urophen MbBenzoic acid (9 mg/1) + Hyoscyamine sulfate dihydrate (0.12 mg/1) + Methenamine (81.6 mg/1) + Methylene blue trihydrate (10.8 mg/1) + Phenyl salicylate (36.2 mg/1)TabletOralBurel Pharmaceuticals, Llc2015-09-282016-11-01US flag

Categories

ATC Codes
A16AX11 — Sodium benzoateV04CG30 — Caffeine and sodium benzoate
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Benzoic acids
Alternative Parents
Benzoyl derivatives / Monocarboxylic acids and derivatives / Carboxylic acids / Organooxygen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Aromatic homomonocyclic compound / Benzoic acid / Benzoyl / Carboxylic acid / Carboxylic acid derivative / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Organic oxide / Organic oxygen compound / Organooxygen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
benzoic acids (CHEBI:30746)

Chemical Identifiers

UNII
8SKN0B0MIM
CAS number
65-85-0
InChI Key
WPYMKLBDIGXBTP-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
IUPAC Name
benzoic acid
SMILES
OC(=O)C1=CC=CC=C1

References

Synthesis Reference

Ludovicus A. L. Kleintjens, Hubertus M. J. Grooten, "Process for the preparation of benzoic acid." U.S. Patent US4539425, issued March, 1932.

US4539425
General References
Not Available
Human Metabolome Database
HMDB0001870
KEGG Drug
D00038
KEGG Compound
C00539
PubChem Compound
243
PubChem Substance
46504911
ChemSpider
238
BindingDB
197302
RxNav
18989
ChEBI
30746
ChEMBL
CHEMBL541
ZINC
ZINC000000001011
PharmGKB
PA448578
PDBe Ligand
BEZ
Wikipedia
Benzoic_acid
PDB Entries
1a8u / 1djr / 1gxs / 1gyx / 1h4o / 1hd2 / 1hkq / 1hz4 / 1i69 / 1i7q
show 160 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedSupportive CareMalignancies / Pain1
2CompletedTreatmentAmino Acid Metabolism, Inborn Errors1
2TerminatedTreatmentHepatic Encephalopathy (HE)1
2Unknown StatusOtherSchizoaffective Disorders / Schizophrenia / Schizophreniform Disorders1
2WithdrawnTreatmentAttenuated or Transient Psychosis1
1CompletedTreatmentHealthy Volunteers1
Not AvailableCompletedOtherUrea Cycle Disorders, Inborn1
Not AvailableCompletedTreatmentAcne Vulgaris1
Not AvailableCompletedTreatmentChronic Liver Diseases (CLD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
SolutionTopical21.5 mg/g
OintmentTopical7 mg/g
Injection, solution, concentrateIntravenous
SyrupOral5 mg/5ml
Ointment6 g/100g
OintmentCutaneous6 g/100g
TinctureOral
LotionTopical5 %w/v
ClothTopical0.1 g/100g
SyrupOral0.1 g
SolutionTopical5 g
PatchTopical
LozengeOral
SolutionTopical6 g
TabletOral
LiquidTopical
TabletOral6.4 mg
Tablet, orally disintegratingOral1.2 MG
LozengeOral6.4 MG
Tablet, solubleOral6.4 mg
SolutionTopical1 g
OintmentTopical4.6 %w/w
OintmentTopical7 %
SyrupOral12 mg/5ml
SyrupOral200 mg
LiquidDental
OintmentTopical5 g
OintmentCutaneous6 % w/w
LiquidTopical0.5 g/100mL
CreamTopical1 mg
SolutionOral100 mg/1mL
LiquidOral100 mg/5ml
OintmentCutaneous60 mg/1g
SyrupOral100 mg/5ml
SyrupOral50 mg/5ml
LotionTopical0.4 %
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)122.4 °CPhysProp
boiling point (°C)249.2 °CPhysProp
water solubility3400 mg/L (at 25 °C)YALKOWSKY,SH & DANNENFELSER,RM (1992)
logP1.87HANSCH,C ET AL. (1995)
logS-1.55ADME Research, USCD
pKa4.19 (at 25 °C)LIDE,DR (1996)
Predicted Properties
PropertyValueSource
Water Solubility7.08 mg/mLALOGPS
logP1.72ALOGPS
logP1.63ChemAxon
logS-1.2ALOGPS
pKa (Strongest Acidic)4.08ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area37.3 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity33.31 m3·mol-1ChemAxon
Polarizability11.97 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9886
Blood Brain Barrier+0.9557
Caco-2 permeable+0.9187
P-glycoprotein substrateNon-substrate0.8494
P-glycoprotein inhibitor INon-inhibitor0.9914
P-glycoprotein inhibitor IINon-inhibitor0.9941
Renal organic cation transporterNon-inhibitor0.9136
CYP450 2C9 substrateNon-substrate0.8003
CYP450 2D6 substrateNon-substrate0.9672
CYP450 3A4 substrateNon-substrate0.8374
CYP450 1A2 substrateNon-inhibitor0.8532
CYP450 2C9 inhibitorNon-inhibitor0.9861
CYP450 2D6 inhibitorNon-inhibitor0.957
CYP450 2C19 inhibitorNon-inhibitor0.9878
CYP450 3A4 inhibitorNon-inhibitor0.9822
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9863
Ames testNon AMES toxic0.9923
CarcinogenicityNon-carcinogens0.6024
BiodegradationReady biodegradable0.8983
Rat acute toxicity1.7896 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9708
hERG inhibition (predictor II)Non-inhibitor0.9882
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)GC-MSsplash10-0a70-0900000000-5284a0c1c77a1979e1f4
GC-MS Spectrum - GC-MS (1 TMS)GC-MSsplash10-056r-3900000000-1c74c32fa650fcd4cb4d
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - EI-BGC-MSsplash10-05i0-6900000000-fa50606b2e84fc4cefe9
GC-MS Spectrum - EI-BGC-MSsplash10-0a6r-9600000000-d08dbc757a6de6c3f54e
GC-MS Spectrum - EI-BGC-MSsplash10-0adi-9800000000-40f904bf20072c72a08b
GC-MS Spectrum - EI-BGC-MSsplash10-0pk9-9800000000-b93fc1120a1c74b88fa3
GC-MS Spectrum - EI-BGC-MSsplash10-05i0-5900000000-1b6bbf98557af374f3a5
GC-MS Spectrum - EI-BGC-MSsplash10-0570-0900000000-ecd208f1e7b4d5ad85f2
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0a70-0900000000-5284a0c1c77a1979e1f4
GC-MS Spectrum - GC-MSGC-MSsplash10-056r-3900000000-1c74c32fa650fcd4cb4d
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0a70-0900000000-cec9e1ab69521049d1e4
Mass Spectrum (Electron Ionization)MSsplash10-0pk9-8900000000-3d79c70c455799ab33e3
MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)LC-MS/MSsplash10-00b9-9500000000-f312a552bef1a2927e64
MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)LC-MS/MSsplash10-004i-9100000000-dafd91c9134bc4143743
MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)LC-MS/MSsplash10-00b9-9400000000-29ca905567aa5c59d46b
MS/MS Spectrum - EI-B (HITACHI RMU-7) , PositiveLC-MS/MSsplash10-05i0-6900000000-fa50606b2e84fc4cefe9
MS/MS Spectrum - EI-B (HITACHI RMU-6E) , PositiveLC-MS/MSsplash10-0a6r-9600000000-d08dbc757a6de6c3f54e
MS/MS Spectrum - EI-B (HITACHI RMU-7M) , PositiveLC-MS/MSsplash10-0adi-9800000000-2693809ae064e720bf58
MS/MS Spectrum - EI-B (HITACHI M-80B) , PositiveLC-MS/MSsplash10-0pk9-9800000000-2c6be5ecee1848091a24
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, NegativeLC-MS/MSsplash10-00di-0900000000-4644ee08861e75d0b808
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, NegativeLC-MS/MSsplash10-00b9-9400000000-11baabb3c0bb283b1c6e
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, NegativeLC-MS/MSsplash10-004l-9100000000-4875643627420279223b
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, NegativeLC-MS/MSsplash10-0006-9000000000-97a21f3206f5c1f0ba7e
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-00di-0900000000-4644ee08861e75d0b808
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-00b9-9400000000-11baabb3c0bb283b1c6e
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-004l-9100000000-4875643627420279223b
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-0006-9000000000-97a21f3206f5c1f0ba7e
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
[1H,1H] 2D NMR Spectrum2D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable

Targets

Details
1. D-amino-acid oxidase
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Receptor binding
Specific Function
Regulates the level of the neuromodulator D-serine in the brain. Has high activity towards D-DOPA and contributes to dopamine synthesis. Could act as a detoxifying agent which removes D-amino acids...
Gene Name
DAO
Uniprot ID
P14920
Uniprot Name
D-amino-acid oxidase
Molecular Weight
39473.75 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
  3. 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. [PubMed:10592235]
Kind
Protein
Organism
Rhodococcus opacus
Pharmacological action
Unknown
Actions
Substrate
Curator comments
Literature referenced utilizes Stenotrophomonas maltophilia as their organism.
General Function
Ferric iron binding
Specific Function
Not Available
Gene Name
clcA
Uniprot ID
O67987
Uniprot Name
Chlorocatechol 1,2-dioxygenase
Molecular Weight
28952.3 Da
References
  1. Guzik U, Hupert-Kocurek K, Sitnik M, Wojcieszynska D: High activity catechol 1,2-dioxygenase from Stenotrophomonas maltophilia strain KB2 as a useful tool in cis,cis-muconic acid production. Antonie Van Leeuwenhoek. 2013 Jun;103(6):1297-307. doi: 10.1007/s10482-013-9910-8. Epub 2013 Mar 28. [PubMed:23536173]
Kind
Protein
Organism
Pseudomonas fluorescens
Pharmacological action
Unknown
General Function
Hydrolase activity
Specific Function
Not Available
Gene Name
cumD
Uniprot ID
P96965
Uniprot Name
2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase
Molecular Weight
31489.385 Da
Kind
Protein
Organism
Streptomyces aureofaciens
Pharmacological action
Unknown
General Function
Chloride peroxidase activity
Specific Function
Not Available
Gene Name
cpo
Uniprot ID
O31168
Uniprot Name
Non-heme chloroperoxidase
Molecular Weight
30354.465 Da
Kind
Protein
Organism
Enterobacter cloacae
Pharmacological action
Unknown
General Function
Oxidoreductase activity
Specific Function
Reduction of a variety of nitroaromatic compounds using NADH (and to lesser extent NADPH) as source of reducing equivalents; two electrons are transferred.
Gene Name
nfsB
Uniprot ID
Q01234
Uniprot Name
Oxygen-insensitive NAD(P)H nitroreductase
Molecular Weight
23949.98 Da
Kind
Protein
Organism
Nocardioides simplex
Pharmacological action
Unknown
General Function
Hydroxyquinol 1,2-dioxygenase activity
Specific Function
Catalyzes the ortho-cleavage of the aromatic ring of hydroxyquinol.
Gene Name
chqB
Uniprot ID
Q5PXQ6
Uniprot Name
Hydroxyquinol 1,2-dioxygenase
Molecular Weight
31966.33 Da
Kind
Protein
Organism
Pseudomonas syringae
Pharmacological action
Unknown
General Function
Dna-directed dna polymerase activity
Specific Function
Not Available
Gene Name
repA
Uniprot ID
Q52546
Uniprot Name
Replication protein
Molecular Weight
26728.84 Da
Kind
Protein
Organism
Rhodococcus sp. (strain MB1 Bresler)
Pharmacological action
Unknown
Actions
Product of
General Function
Dipeptidyl-peptidase activity
Specific Function
Hydrolyzes cocaine to benzoate and ecgonine methyl ester, endowing the bacteria with the ability to utilize cocaine as a sole source of carbon and energy for growth, as this bacterium lives in the ...
Gene Name
cocE
Uniprot ID
Q9L9D7
Uniprot Name
Cocaine esterase
Molecular Weight
62131.125 Da
References
  1. Bresler MM, Rosser SJ, Basran A, Bruce NC: Gene cloning and nucleotide sequencing and properties of a cocaine esterase from Rhodococcus sp. strain MB1. Appl Environ Microbiol. 2000 Mar;66(3):904-8. [PubMed:10698749]
  2. Lister DL, Sproule RF, Britt AJ, Lowe CR, Bruce NC: Degradation of cocaine by a mixed culture of Pseudomonas fluorescens MBER and Comamonas acidovorans MBLF. Appl Environ Microbiol. 1996 Jan;62(1):94-9. [PubMed:8572717]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Proton-dependent oligopeptide secondary active transmembrane transporter activity
Specific Function
Proton-coupled intake of oligopeptides of 2 to 4 amino acids with a preference for dipeptides. May constitute a major route for the absorption of protein digestion end-products.
Gene Name
SLC15A1
Uniprot ID
P46059
Uniprot Name
Solute carrier family 15 member 1
Molecular Weight
78805.265 Da
References
  1. Omkvist DH, Trangbaek DJ, Mildon J, Paine JS, Brodin B, Begtrup M, Nielsen CU: Affinity and translocation relationships via hPEPT1 of H-X aa-Ser-OH dipeptides: evaluation of H-Phe-Ser-OH as a pro-moiety for ibuprofen and benzoic acid prodrugs. Eur J Pharm Biopharm. 2011 Feb;77(2):327-31. doi: 10.1016/j.ejpb.2010.12.009. Epub 2010 Dec 13. [PubMed:21147219]

Transporters

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Sodium-independent organic anion transmembrane transporter activity
Specific Function
Mediates the Na(+)-independent transport of organic anions such as taurocholate, the prostaglandins PGD2, PGE1, PGE2, leukotriene C4, thromboxane B2 and iloprost.
Gene Name
SLCO2B1
Uniprot ID
O94956
Uniprot Name
Solute carrier organic anion transporter family member 2B1
Molecular Weight
76709.98 Da
References
  1. Kobayashi D, Nozawa T, Imai K, Nezu J, Tsuji A, Tamai I: Involvement of human organic anion transporting polypeptide OATP-B (SLC21A9) in pH-dependent transport across intestinal apical membrane. J Pharmacol Exp Ther. 2003 Aug;306(2):703-8. Epub 2003 Apr 30. [PubMed:12724351]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Sodium-independent organic anion transmembrane transporter activity
Specific Function
Plays an important role in the excretion/detoxification of endogenous and exogenous organic anions, especially from the brain and kidney. Involved in the transport basolateral of steviol, fexofenad...
Gene Name
SLC22A8
Uniprot ID
Q8TCC7
Uniprot Name
Solute carrier family 22 member 8
Molecular Weight
59855.585 Da
References
  1. Ohtsuki S, Asaba H, Takanaga H, Deguchi T, Hosoya K, Otagiri M, Terasaki T: Role of blood-brain barrier organic anion transporter 3 (OAT3) in the efflux of indoxyl sulfate, a uremic toxin: its involvement in neurotransmitter metabolite clearance from the brain. J Neurochem. 2002 Oct;83(1):57-66. [PubMed:12358729]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Symporter activity
Specific Function
Proton-coupled monocarboxylate transporter. Catalyzes the rapid transport across the plasma membrane of many monocarboxylates such as lactate, pyruvate, branched-chain oxo acids derived from leucin...
Gene Name
SLC16A1
Uniprot ID
P53985
Uniprot Name
Monocarboxylate transporter 1
Molecular Weight
53943.685 Da
References
  1. Kido Y, Tamai I, Okamoto M, Suzuki F, Tsuji A: Functional clarification of MCT1-mediated transport of monocarboxylic acids at the blood-brain barrier using in vitro cultured cells and in vivo BUI studies. Pharm Res. 2000 Jan;17(1):55-62. [PubMed:10714609]

Drug created on June 13, 2005 07:24 / Updated on June 12, 2020 10:52

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