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Ligand

NameCHEMBL3234566
Molecular formulaC25H32FN7O
IUPAC name(3R)-N-[2-(4-cyanophenyl)ethyl]-1-[5-fluoro-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperidine-3-carboxamide
Molecular weight465.577
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50003337
Inchi KeyMQTKTGBFRROXDQ-OAQYLSRUSA-N
Inchi IDInChI=1S/C25H32FN7O/c1-18-22(26)23(32-14-12-31(2)13-15-32)30-25(29-18)33-11-3-4-21(17-33)24(34)28-10-9-19-5-7-20(16-27)8-6-19/h5-8,21H,3-4,9-15,17H2,1-2H3,(H,28,34)/t21-/m1/s1
PubChem CID90654585
ChEMBLCHEMBL3234566
IUPHARN/A
BindingDB50003337
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
211992G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329
211993G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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