Chemical Component Summary

Name2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE
SynonymsCRA_1801
Identifiers2-[5-(amino-azaniumylidene-methyl)-1H-benzimidazol-2-yl]pyridin-3-olate
FormulaC13 H11 N5 O
Molecular Weight253.259
TypeNON-POLYMER
Isomeric SMILESc1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-]
InChIInChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18)
InChIKeyFQCDQFDJHSXQKY-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count32
Aromatic Bond Count17

Drug Info: DrugBank

DrugBank IDDB03016 
NameCRA_1801
Groups experimental
SynonymsCRA_1801

Drug Targets

NameTarget SequencePharmacological ActionActions
Trypsin-1MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGG...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 1513