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Ligand

NameCHEMBL538918
Molecular formulaC27H32ClN3O
IUPAC name(E)-3-(2-chlorophenyl)-N-[2-methyl-4-(octylamino)quinolin-6-yl]prop-2-enamide
Molecular weight450.023
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP7.9
SynonymsSCHEMBL8352423
(E)-N-(4-Octylamino-2-methyl-6-quinolinyl)-2-chlorocinnamamide
Inchi KeyCWQLRNHZQNXHEL-DTQAZKPQSA-N
Inchi IDInChI=1S/C27H32ClN3O/c1-3-4-5-6-7-10-17-29-26-18-20(2)30-25-15-14-22(19-23(25)26)31-27(32)16-13-21-11-8-9-12-24(21)28/h8-9,11-16,18-19H,3-7,10,17H2,1-2H3,(H,29,30)(H,31,32)/b16-13+
PubChem CID15133407
ChEMBLCHEMBL538918
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
52317C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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