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Ligand

NameCHEMBL3703203
Molecular formulaC32H37FN2O6
IUPAC name2-[4-[3-(4-fluorophenoxy)-5-[[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]amino]phenoxy]phenyl]-2-methylpropanoic acid
Molecular weight564.654
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP6.0
SynonymsSCHEMBL14839446
2-{4-[3-(4-fluorophenoxy)-5-{[(4-hydroxy-4-isobutyl-1-piperidinyl)carbonyl]amino}phenoxy]phenyl}-2-methylpropanoic acid
US8975409, Example 9
BDBM149712
MBTKFRQXHPGCLC-UHFFFAOYSA-N
Inchi KeyMBTKFRQXHPGCLC-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H37FN2O6/c1-21(2)20-32(39)13-15-35(16-14-32)30(38)34-24-17-27(19-28(18-24)41-26-11-7-23(33)8-12-26)40-25-9-5-22(6-10-25)31(3,4)29(36)37/h5-12,17-19,21,39H,13-16,20H2,1-4H3,(H,34,38)(H,36,37)
PubChem CID71547556
ChEMBLCHEMBL3703203
IUPHARN/A
BindingDB149712
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
201634Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
460994Sphingosine 1-phosphate receptor 2P47752S1pr2Rattus norvegicus (Rat)352

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