Chemical Component Summary

NameBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE
Identifiers[amino-[2-[[6-(amino-azaniumylidene-methyl)-1H-benzimidazol-2-yl]-dihydroxy-methyl]-3H-benzimidazol-5-yl]methylidene]azanium
FormulaC17 H18 N8 O2
Molecular Weight366.377
TypeNON-POLYMER
Isomeric SMILESc1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(c3[nH]c4cc(ccc4n3)C(=[NH2+])N)(O)O
InChIInChI=1S/C17H16N8O2/c18-13(19)7-1-3-9-11(5-7)24-15(22-9)17(26,27)16-23-10-4-2-8(14(20)21)6-12(10)25-16/h1-6,26-27H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)/p+2
InChIKeyZLAHDRAQCSQPOC-UHFFFAOYSA-P

Chemical Details

Formal Charge2
Atom Count45
Chiral Atom Count0
Bond Count48
Aromatic Bond Count20

Drug Info: DrugBank

DrugBank IDDB04301 
NameBis(5-Amidino-2-Benzimidazolyl)Methane Ketone Hydrate
Groups experimental
SynonymsBis(5-Amidino-2-Benzimidazolyl)Methane Ketone Hydrate

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 135678108, 131704276, 2384