gentisic acid 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

Pharmacologic Action:

SourceCodeDescription
CHEBI has role CHEBI:64345 MALDI matrix material

Drug Use (View source of the data)

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 1 Enzyme Ki 5.38 CHEMBL
Carbonic anhydrase 2 Enzyme Ki 5.39 CHEMBL
Carbonic anhydrase 14 Enzyme Ki 4.17 CHEMBL
Carbonic anhydrase 7 Enzyme Ki 4.17 CHEMBL
Arachidonate 5-lipoxygenase Enzyme IC50 4.12 CHEMBL
Carbonic anhydrase 9 Enzyme Ki 5.18 CHEMBL
Carbonic anhydrase 12 Enzyme Ki 5.14 CHEMBL

External reference:

IDSource
C0045555 UMLSCUI
1368641 RXNORM
010196 NDDF
3469 PUBCHEM_CID
CHEBI:17189 CHEBI
CHEMBL1461 ChEMBL_ID
DX2PUD5H82 UNII
4156 INN_ID
4955-90-2 SECONDARY_CAS_RN
CHEMBL2107562 ChEMBL_ID

Pharmaceutical products:

None