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Ligand

NameCHEMBL2336208
Molecular formulaC22H23FN4O2
IUPAC name[5-(2-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
Molecular weight394.45
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM50429151
Inchi KeyAIXYWFIHNYBJKB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23FN4O2/c1-15-20(22(26(2)25-15)29-19-11-4-3-9-17(19)23)21(28)27-13-6-5-10-18(27)16-8-7-12-24-14-16/h3-4,7-9,11-12,14,18H,5-6,10,13H2,1-2H3
PubChem CID71559936
ChEMBLCHEMBL2336208
IUPHARN/A
BindingDB50429151
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
6641G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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