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Ligand

NameCHEMBL483653
Molecular formulaC25H22N6O2
IUPAC nameN-[3-(3H-benzimidazol-5-ylamino)-3-oxopropyl]-1-benzylbenzimidazole-2-carboxamide
Molecular weight438.491
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.0
SynonymsBDBM50264715
N-(3-(3H-benzo[d]imidazol-5-ylamino)-3-oxopropyl)-1-benzyl-1H-benzo[d]imidazole-2-carboxamide
Inchi KeyBTVKICRGQNLDIK-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22N6O2/c32-23(29-18-10-11-19-21(14-18)28-16-27-19)12-13-26-25(33)24-30-20-8-4-5-9-22(20)31(24)15-17-6-2-1-3-7-17/h1-11,14,16H,12-13,15H2,(H,26,33)(H,27,28)(H,29,32)
PubChem CID44580046
ChEMBLCHEMBL483653
IUPHARN/A
BindingDB50264715
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
32718B1 bradykinin receptorQ3BCU0BDKRB1Macaca fascicularis (Crab-eating macaque)352

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