Chemical Component Summary

NameBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE
Identifiers[amino-[2-[[6-(amino-azaniumylidene-methyl)-1H-benzimidazol-2-yl]carbonyl]-3H-benzimidazol-5-yl]methylidene]azanium
FormulaC17 H16 N8 O
Molecular Weight348.362
TypeNON-POLYMER
Isomeric SMILESc1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=[NH2+])N
InChIInChI=1S/C17H14N8O/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17/h1-6H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)/p+2
InChIKeyVVVXDHROXQUONB-UHFFFAOYSA-P

Chemical Details

Formal Charge2
Atom Count42
Chiral Atom Count0
Bond Count45
Aromatic Bond Count20

Drug Info: DrugBank

DrugBank IDDB03213 
NameBis(5-Amidino-2-Benzimidazolyl)Methane Ketone
Groups experimental
SynonymsBis(5-Amidino-2-Benzimidazolyl)Methane Ketone

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 2280, 131704234