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Ligand

NameCHEMBL3401376
Molecular formulaC25H33FN2O3
IUPAC name4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)-5-methylphenyl]-4-hydroxypiperidine-1-carboxamide
Molecular weight428.548
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM50065519
Inchi KeyCKKDVWOWAWTQRP-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33FN2O3/c1-4-19(5-2)17-25(30)10-12-28(13-11-25)24(29)27-21-14-18(3)15-23(16-21)31-22-8-6-20(26)7-9-22/h6-9,14-16,19,30H,4-5,10-13,17H2,1-3H3,(H,27,29)
PubChem CID118728425
ChEMBLCHEMBL3401376
IUPHARN/A
BindingDB50065519
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
443412Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353

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