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

Stem definition	Drug id	CAS RN
	3260	490-79-9

Description:

Molecule

Description

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:

Source	Code	Description
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 level	Dissociation constant	Type (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:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Mechanism action	Bioact source	MoA source
Carbonic anhydrase 2	Enzyme	P00918	CAH2_HUMAN		Ki	5.39		CHEMBL
Carbonic anhydrase 1	Enzyme	P00915	CAH1_HUMAN		Ki	5.38		CHEMBL
Carbonic anhydrase 9	Enzyme	Q16790	CAH9_HUMAN		Ki	5.18		CHEMBL
Carbonic anhydrase 12	Enzyme	O43570	CAH12_HUMAN		Ki	5.14		CHEMBL
Arachidonate 5-lipoxygenase	Enzyme	P09917	LOX5_HUMAN		IC50	4.12		CHEMBL
Carbonic anhydrase 7	Enzyme	P43166	CAH7_HUMAN		Ki	4.17		CHEMBL
Carbonic anhydrase 14	Enzyme	Q9ULX7	CAH14_HUMAN		Ki	4.17		CHEMBL

External reference:

ID	Source
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