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Ligand

NameCHEMBL3759532
Molecular formulaC32H35FN2O6
IUPAC name2-[4-[3-[(3-cyclopentyl-3-hydroxypyrrolidine-1-carbonyl)amino]-5-(4-fluorophenoxy)phenoxy]phenyl]-2-methylpropanoic acid
Molecular weight562.638
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP5.8
SynonymsBDBM50143206
SCHEMBL15911470
Inchi KeyAFNDMYLRRQXVOM-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H35FN2O6/c1-31(2,29(36)37)21-7-11-25(12-8-21)40-27-17-24(18-28(19-27)41-26-13-9-23(33)10-14-26)34-30(38)35-16-15-32(39,20-35)22-5-3-4-6-22/h7-14,17-19,22,39H,3-6,15-16,20H2,1-2H3,(H,34,38)(H,36,37)
PubChem CID90309512
ChEMBLCHEMBL3759532
IUPHARN/A
BindingDB50143206
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
521568Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353

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