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Ligand

NameCHEMBL2336221
Molecular formulaC21H23N5O2
IUPAC name(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
Molecular weight377.448
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.2
SynonymsBDBM50429139
Inchi KeyCXGKUNMNNORRAM-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23N5O2/c1-15-19(21(25(2)24-15)28-17-8-6-11-23-14-17)20(27)26-12-4-3-9-18(26)16-7-5-10-22-13-16/h5-8,10-11,13-14,18H,3-4,9,12H2,1-2H3
PubChem CID71561503
ChEMBLCHEMBL2336221
IUPHARN/A
BindingDB50429139
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
52760G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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