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Ligand

NameCHEMBL485079
Molecular formulaC27H32N4O3
IUPAC name1-benzyl-N-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzimidazole-2-carboxamide
Molecular weight460.578
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50264712
SCHEMBL14262491
1-Benzyl-1H-benzoimidazole-2-carboxylic acid [3-(3-oxa-9-aza-spiro[5.5]undec-9-yl)-3-oxo-propyl]-amide
Inchi KeyJVPWICRYXXIDKL-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32N4O3/c32-24(30-16-11-27(12-17-30)13-18-34-19-14-27)10-15-28-26(33)25-29-22-8-4-5-9-23(22)31(25)20-21-6-2-1-3-7-21/h1-9H,10-20H2,(H,28,33)
PubChem CID44580043
ChEMBLCHEMBL485079
IUPHARN/A
BindingDB50264712
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
161157B1 bradykinin receptorQ3BCU0BDKRB1Macaca fascicularis (Crab-eating macaque)352

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