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Name:[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
PubChem ID:5288622
Pathway:Show KEGG pathways
InChI:InChI=1/C34H36N5O2/c1-39(2,3)29-14-12-24(13-15-29)21-37-34(40)32-20-28-19-30(41-23-25-8-5-4-6-9-25)16-17-31(28)38(32)22-26-10-7-11-27(18-26)33(35)36/h4-20,32H,21-23H2,1-3H3,(H3-,35,36,37,40)/q+1/p+1/fC34H37N5O2/h35,37H,36H2/q+2/b35-33-
SMILES:C[N+](C)(C)c1ccc(cc1)CNC(C1C=c2cc(ccc2=[N+]1Cc1cccc(c1)/C(=N\[H])N)OCc1ccccc1)=O

Properties:
Formula:C34H37N5O2Atoms:42
Molecular Weight:547.69Rotatable Bonds:11
H-bond Acceptors:6H-bond Donors:1
logP:4.2075
Targets:
NameUniprot IDSourceReferencesInteraction
Cationic trypsinTRY1_BOVINDrugBank-shows
Synonyms:
AC1NRBT8
CID5288622
IMA
[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-METHYL)-PHENYL]-TRIMETHYL-AMMONIUM