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Ligand

NameCHEMBL490406
Molecular formulaC28H30N6O2
IUPAC name1-benzyl-N-[1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)butan-2-yl]benzimidazole-2-carboxamide
Molecular weight482.588
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50264299
1-benzyl-N-(1-oxo-1-(4-(pyridin-4-yl)piperazin-1-yl)butan-2-yl)-1H-benzo[d]imidazole-2-carboxamide
Inchi KeyJBYAAIASXHWJON-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H30N6O2/c1-2-23(28(36)33-18-16-32(17-19-33)22-12-14-29-15-13-22)31-27(35)26-30-24-10-6-7-11-25(24)34(26)20-21-8-4-3-5-9-21/h3-15,23H,2,16-20H2,1H3,(H,31,35)
PubChem CID44579796
ChEMBLCHEMBL490406
IUPHARN/A
BindingDB50264299
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
147161B1 bradykinin receptorQ3BCU0BDKRB1Macaca fascicularis (Crab-eating macaque)352

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