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Ligand

NameCHEMBL3234554
Molecular formulaC18H20ClFN4O
IUPAC name(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide
Molecular weight362.833
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50003306
Inchi KeyKUTJEWYDBTYQNW-CQSZACIVSA-N
Inchi IDInChI=1S/C18H20ClFN4O/c19-15-5-3-13(4-6-15)7-8-21-17(25)14-2-1-9-24(12-14)18-22-10-16(20)11-23-18/h3-6,10-11,14H,1-2,7-9,12H2,(H,21,25)/t14-/m1/s1
PubChem CID90654573
ChEMBLCHEMBL3234554
IUPHARN/A
BindingDB50003306
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
178775G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330
178776G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329

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