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Ligand

NameCHEMBL3234555
Molecular formulaC19H22ClFN4O
IUPAC name(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoro-4-methylpyrimidin-2-yl)piperidine-3-carboxamide
Molecular weight376.86
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50003307
Inchi KeyLKSVABYLSASGIU-OAHLLOKOSA-N
Inchi IDInChI=1S/C19H22ClFN4O/c1-13-17(21)11-23-19(24-13)25-10-2-3-15(12-25)18(26)22-9-8-14-4-6-16(20)7-5-14/h4-7,11,15H,2-3,8-10,12H2,1H3,(H,22,26)/t15-/m1/s1
PubChem CID90654574
ChEMBLCHEMBL3234555
IUPHARN/A
BindingDB50003307
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
189859G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330
189860G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329

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