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Ligand

NameCHEMBL3618193
Molecular formulaC19H17F5N2O2
IUPAC name4-(4-fluorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
Molecular weight400.349
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50120576
SCHEMBL5911874
Inchi KeyCXVIYEZWFVXTER-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17F5N2O2/c20-14-3-1-12(2-4-14)18(28)5-7-26(8-6-18)17(27)25-16-10-13(19(22,23)24)9-15(21)11-16/h1-4,9-11,28H,5-8H2,(H,25,27)
PubChem CID23071955
ChEMBLCHEMBL3618193
IUPHARN/A
BindingDB50120576
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
469463Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353

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