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Ligand

NameCHEMBL2164242
Molecular formulaC27H30FNO5S
IUPAC name3-[2-fluoro-4-[[3-[2-methyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methylamino]phenyl]propanoic acid
Molecular weight499.597
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50395072
GTPL9149
3-{2-fluoro-4-[({3-[4-(3-methanesulfonylpropoxy)-2-methylphenyl]phenyl}methyl)amino]phenyl}propanoic acid
TUG-905
agonist 13 [PMID: 22724451]
Inchi KeyODIHLEYTPVYAPY-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H30FNO5S/c1-19-15-24(34-13-4-14-35(2,32)33)10-11-25(19)22-6-3-5-20(16-22)18-29-23-9-7-21(26(28)17-23)8-12-27(30)31/h3,5-7,9-11,15-17,29H,4,8,12-14,18H2,1-2H3,(H,30,31)
PubChem CID60195125
ChEMBLCHEMBL2164242
IUPHAR9149
BindingDB50395072
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
238426Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
238427Free fatty acid receptor 1Q8K3T4Ffar1Rattus norvegicus (Rat)300
238425Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377

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