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Ligand

NameCHEMBL3703202
Molecular formulaC33H37FN2O7
IUPAC name2-[4-[3-(4-fluorophenoxy)-5-[[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]amino]benzoyl]oxyphenyl]-2-methylpropanoic acid
Molecular weight592.664
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP5.9
SynonymsSCHEMBL14839318
2-(4-{[3-(4-fluorophenoxy)-5-{[(4-hydroxy-4-isobutyl-1-piperidinyl)carbonyl]amino}benzoyl]oxy}phenyl)-2-methylpropanoic acid
US8975409, Example 38
BDBM149710
HCNPUNDFLQNIOB-UHFFFAOYSA-N
Inchi KeyHCNPUNDFLQNIOB-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H37FN2O7/c1-21(2)20-33(41)13-15-36(16-14-33)31(40)35-25-17-22(18-28(19-25)42-26-11-7-24(34)8-12-26)29(37)43-27-9-5-23(6-10-27)32(3,4)30(38)39/h5-12,17-19,21,41H,13-16,20H2,1-4H3,(H,35,40)(H,38,39)
PubChem CID71547630
ChEMBLCHEMBL3703202
IUPHARN/A
BindingDB149710
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
111460Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
460218Sphingosine 1-phosphate receptor 2P47752S1pr2Rattus norvegicus (Rat)352

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