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Ligand

NameCHEMBL3234578
Molecular formulaC23H26F3N7O
IUPAC name(2R)-N-[2-(4-cyanophenyl)ethyl]-1-[6-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]azetidine-2-carboxamide
Molecular weight473.504
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50003289
Inchi KeyIMDHTJNGKGZRCP-GOSISDBHSA-N
Inchi IDInChI=1S/C23H26F3N7O/c1-31-10-12-32(13-11-31)19-14-20(30-22(29-19)23(24,25)26)33-9-7-18(33)21(34)28-8-6-16-2-4-17(15-27)5-3-16/h2-5,14,18H,6-13H2,1H3,(H,28,34)/t18-/m1/s1
PubChem CID90654567
ChEMBLCHEMBL3234578
IUPHARN/A
BindingDB50003289
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
136537G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330
136538G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329

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