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Ligand

NameCHEMBL2336064
Molecular formulaC26H30F4N2O3
IUPAC name3-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-fluorophenyl]methylamino]propanoic acid
Molecular weight494.531
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.8
SynonymsSCHEMBL1566832
BDBM50428149
Inchi KeyAQEUVBJFUGACMQ-VTNSRFBWSA-N
Inchi IDInChI=1S/C26H30F4N2O3/c1-17(20-8-9-21(24(27)14-20)15-31-12-11-25(33)34)32-35-16-18-7-10-22(19-5-3-2-4-6-19)23(13-18)26(28,29)30/h7-10,13-14,19,31H,2-6,11-12,15-16H2,1H3,(H,33,34)/b32-17+
PubChem CID59982944
ChEMBLCHEMBL2336064
IUPHARN/A
BindingDB50428149
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
11618Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
11619Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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