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Ligand

NameCHEMBL2336213
Molecular formulaC22H22Cl2N4O2
IUPAC name[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
Molecular weight445.344
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50429147
Inchi KeyCIOWDFAFTWBSLR-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22Cl2N4O2/c1-14-20(22(27(2)26-14)30-19-9-8-16(23)12-17(19)24)21(29)28-11-4-3-7-18(28)15-6-5-10-25-13-15/h5-6,8-10,12-13,18H,3-4,7,11H2,1-2H3
PubChem CID71561368
ChEMBLCHEMBL2336213
IUPHARN/A
BindingDB50429147
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
42868G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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