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Ligand

NameCHEMBL491041
Molecular formulaC28H25N5O2S
IUPAC name1-benzyl-N-[2-[methyl-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide
Molecular weight495.601
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50264677
N-(2-((4-(thiazol-2-yl)benzyl)(methyl)amino)-2-oxoethyl)-1-benzyl-1H-benzo[d]imidazole-2-carboxamide
Inchi KeyKMYYXNZFDDEWMA-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H25N5O2S/c1-32(18-21-11-13-22(14-12-21)28-29-15-16-36-28)25(34)17-30-27(35)26-31-23-9-5-6-10-24(23)33(26)19-20-7-3-2-4-8-20/h2-16H,17-19H2,1H3,(H,30,35)
PubChem CID44580012
ChEMBLCHEMBL491041
IUPHARN/A
BindingDB50264677
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
173143B1 bradykinin receptorQ3BCU0BDKRB1Macaca fascicularis (Crab-eating macaque)352

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