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Ligand

NameCHEMBL3234558
Molecular formulaC19H23ClN4O
IUPAC name(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide
Molecular weight358.87
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50003310
Inchi KeyJUPRRGMZRSUAOX-MRXNPFEDSA-N
Inchi IDInChI=1S/C19H23ClN4O/c1-14-21-11-9-18(23-14)24-12-2-3-16(13-24)19(25)22-10-8-15-4-6-17(20)7-5-15/h4-7,9,11,16H,2-3,8,10,12-13H2,1H3,(H,22,25)/t16-/m1/s1
PubChem CID90654577
ChEMBLCHEMBL3234558
IUPHARN/A
BindingDB50003310
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
160308G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329
160309G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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