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Ligand

NameCHEMBL2181235
Molecular formulaC22H19Cl2N3O2
IUPAC name[4-(2,5-dichlorophenoxy)pyridin-3-yl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
Molecular weight428.313
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50399959
Inchi KeyBBXCEBZWMOSRMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19Cl2N3O2/c1-2-26-11-12-27(19-6-4-3-5-18(19)26)22(28)16-14-25-10-9-20(16)29-21-13-15(23)7-8-17(21)24/h3-10,13-14H,2,11-12H2,1H3
PubChem CID71459275
ChEMBLCHEMBL2181235
IUPHARN/A
BindingDB50399959
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
19911G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329
19912G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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