gentisic acid 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
3260 490-79-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • sodium gentisate
  • gentisic acid
  • carboxyhydroquinone
  • gensigen
  • gensigon
  • gentisinic acid
  • hydroquinonecarboxylic acid
  • Molecular weight: 154.12
  • Formula: C7H6O4
  • CLOGP: 1.62
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 3
  • TPSA: 77.76
  • ALOGS: -1.10
  • ROTB: 1

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
CHEBI has role CHEBI:64345 matrix-assisted laser desorption/ionization matrix materials
CHEBI has role CHEBI:64996 omega(6) lipoxygenase inhibitor
CHEBI has role CHEBI:75771 Mus musculus metabolites
CHEBI has role CHEBI:76946 fungal metabolites
CHEBI has role CHEBI:77746 Homo sapiens metabolite

Drug Use | Suggest Off label Use Form| |View source of the data|

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 2.94 acidic
pKa2 11.8 acidic
pKa3 13.37 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Carbonic anhydrase 2 Enzyme Ki 5.39 CHEMBL
Carbonic anhydrase 1 Enzyme Ki 5.38 CHEMBL
Carbonic anhydrase 9 Enzyme Ki 5.18 CHEMBL
Carbonic anhydrase 12 Enzyme Ki 5.14 CHEMBL
Arachidonate 5-lipoxygenase Enzyme IC50 4.12 CHEMBL
Carbonic anhydrase 7 Enzyme Ki 4.17 CHEMBL
Carbonic anhydrase 14 Enzyme Ki 4.17 CHEMBL

External reference:

IDSource
4955-90-2 SECONDARY_CAS_RN
C0045555 UMLSCUI
CHEBI:17189 CHEBI
CHEMBL1461 ChEMBL_ID
CHEMBL2107562 ChEMBL_ID
3469 PUBCHEM_CID
756 INN_ID
VP36V95O3T UNII
1368641 RXNORM
010196 NDDF
GTQ PDB_CHEM_ID
4156 INN_ID

Pharmaceutical products:

None