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Ligand

NameCHEMBL3703204
Molecular formulaC25H30F4N2O3
IUPAC name4-(2-ethylbutyl)-N-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-4-hydroxypiperidine-1-carboxamide
Molecular weight482.52
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.1
SynonymsBDBM149713
US8975409, Comparative compound A
Inchi KeyJYUZIAXLZMPCJX-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30F4N2O3/c1-3-17(4-2)16-24(33)8-10-31(11-9-24)23(32)30-20-6-5-7-21(15-20)34-22-13-18(25(27,28)29)12-19(26)14-22/h5-7,12-15,17,33H,3-4,8-11,16H2,1-2H3,(H,30,32)
PubChem CID91826297
ChEMBLCHEMBL3703204
IUPHARN/A
BindingDB149713
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
163381Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
460680Sphingosine 1-phosphate receptor 2P47752S1pr2Rattus norvegicus (Rat)352

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