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Ligand

NameCHEMBL505432
Molecular formulaC36H38N6O3
IUPAC name(2S)-1-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]-N-propan-2-yl-4-quinolin-3-ylpiperazine-2-carboxamide
Molecular weight602.739
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.9
SynonymsBDBM50245204
(2S)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-N-isopropyl-4-(quinolin-3-yl)piperazine-2-carboxamide
Inchi KeyBWNREFLJTMQEQW-XIFFEERXSA-N
Inchi IDInChI=1S/C36H38N6O3/c1-5-45-30-11-8-10-28(20-30)42-22-32(39-34(42)26-15-13-25(4)14-16-26)36(44)41-18-17-40(23-33(41)35(43)38-24(2)3)29-19-27-9-6-7-12-31(27)37-21-29/h6-16,19-22,24,33H,5,17-18,23H2,1-4H3,(H,38,43)/t33-/m0/s1
PubChem CID44562314
ChEMBLCHEMBL505432
IUPHARN/A
BindingDB50245204
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
34586Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428

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