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Ligand

NameCHEMBL2181248
Molecular formulaC20H15Cl2N3O2
IUPAC name[3-(2,5-dichlorophenoxy)pyrazin-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
Molecular weight400.259
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.6
SynonymsBDBM50399934
Inchi KeyBVJGNHRLBSXPEY-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H15Cl2N3O2/c21-14-7-8-15(22)17(12-14)27-19-18(23-9-10-24-19)20(26)25-11-3-5-13-4-1-2-6-16(13)25/h1-2,4,6-10,12H,3,5,11H2
PubChem CID71453904
ChEMBLCHEMBL2181248
IUPHARN/A
BindingDB50399934
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
33790G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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