Chemical Component Summary

Name3-AMINOBENZOIC ACID
SynonymsGABACULINE
Identifiers3-aminobenzoic acid
FormulaC7 H7 N O2
Molecular Weight137.136
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)N)C(=O)O
InChIInChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKeyXFDUHJPVQKIXHO-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count17
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB02054 
NameGabaculine
Groups experimental
SynonymsGabaculine
Categories
  • Acids, Carbocyclic
  • Cyclohexanes
  • Cycloparaffins
  • Enzyme Inhibitors
  • Transaminases, antagonists & inhibitors
CAS number87980-11-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Ornithine aminotransferase, mitochondrialMFSKLAHLQRFAVLSRGVHSSVASATSVATKKTVQGPPTSDDIFEREYKY...unknown
Glutamate-1-semialdehyde 2,1-aminomutaseMVTSSPFKTIKSDEIFAAAQKLMPGGVSSPVRAFKSVGGQPIVFDRVKDA...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 7419
ChEMBL CHEMBL307782
ChEBI CHEBI:42682
CCDC/CSD BIZTIP, NAKZIL, ZAJJEZ, ZIPGIR, NUQKOA, WAJWEL, LIGTAZ, UDUZIC, VAPFEX, GEPQUP, PANYIM, WUTJAY, DIBVEQ, OGENAQ, LEGPIY