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Ligand

NameCHEMBL1938943
Molecular formulaC23H16F3N3O2
IUPAC name1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)pyridin-2-yl]quinoline-3-carboxamide
Molecular weight423.395
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50361898
Inchi KeyAHXXBKJYVHGSMP-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H16F3N3O2/c1-29-13-17(20(30)16-9-5-6-10-18(16)29)22(31)28-19-12-11-15(14-7-3-2-4-8-14)21(27-19)23(24,25)26/h2-13H,1H3,(H,27,28,31)
PubChem CID57393649
ChEMBLCHEMBL1938943
IUPHARN/A
BindingDB50361898
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
5968Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
5969Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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