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Ligand

NameCHEMBL2181255
Molecular formulaC22H18Cl2N4O2
IUPAC name[4-(2,5-dichlorophenoxy)pyrimidin-5-yl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone
Molecular weight441.312
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50399956
Inchi KeyDIUSLTNYHUZZEU-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H18Cl2N4O2/c1-2-9-27-10-11-28(19-6-4-3-5-18(19)27)22(29)16-13-25-14-26-21(16)30-20-12-15(23)7-8-17(20)24/h2-8,12-14H,1,9-11H2
PubChem CID71452079
ChEMBLCHEMBL2181255
IUPHARN/A
BindingDB50399956
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
61101G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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