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Ligand

NameCHEMBL1773888
Molecular formulaC33H31N5O2
IUPAC name[5-(4-ethoxyphenyl)-4-(4-methylphenyl)pyrimidin-2-yl]-(4-quinolin-3-ylpiperazin-1-yl)methanone
Molecular weight529.644
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.8
SynonymsBDBM50343700
(5-(4-ethoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
Inchi KeyANAJQFYWUVCQJM-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H31N5O2/c1-3-40-28-14-12-24(13-15-28)29-22-35-32(36-31(29)25-10-8-23(2)9-11-25)33(39)38-18-16-37(17-19-38)27-20-26-6-4-5-7-30(26)34-21-27/h4-15,20-22H,3,16-19H2,1-2H3
PubChem CID54580266
ChEMBLCHEMBL1773888
IUPHARN/A
BindingDB50343700
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
9394Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428

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