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Ligand

NameCHEMBL3759551
Molecular formulaC29H30F2N2O6
IUPAC name4-[3-(2,4-difluorophenoxy)-5-[[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]amino]phenoxy]benzoic acid
Molecular weight540.564
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP5.3
SynonymsSCHEMBL15910956
BDBM50143193
Inchi KeyAAAQLZOAUALGQJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H30F2N2O6/c1-18(2)17-29(37)9-11-33(12-10-29)28(36)32-21-14-23(38-22-6-3-19(4-7-22)27(34)35)16-24(15-21)39-26-8-5-20(30)13-25(26)31/h3-8,13-16,18,37H,9-12,17H2,1-2H3,(H,32,36)(H,34,35)
PubChem CID90309065
ChEMBLCHEMBL3759551
IUPHARN/A
BindingDB50143193
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This 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
521439Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353

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