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Ligand

NameCHEMBL85288
Molecular formulaC20H16F3N3O
IUPAC name(E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Molecular weight371.363
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.1
SynonymsSCHEMBL8359620
(E)-N-(4-Amino-2-methyl-6-quinolinyl)-3-trifluoromethylcinnamamide
Inchi KeyCQPFKMRAYQKWEI-VMPITWQZSA-N
Inchi IDInChI=1S/C20H16F3N3O/c1-12-9-17(24)16-11-15(6-7-18(16)25-12)26-19(27)8-5-13-3-2-4-14(10-13)20(21,22)23/h2-11H,1H3,(H2,24,25)(H,26,27)/b8-5+
PubChem CID15133402
ChEMBLCHEMBL85288
IUPHARN/A
BindingDBN/A
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
48310C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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