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Ligand

NameCHEMBL2047170
Molecular formulaC29H30Cl2O7S
IUPAC name2-[(3S)-6-[[3-[3,5-dichloro-2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
Molecular weight593.512
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.0
Synonyms[(3S)-6-({3',5'-dichloro-2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid
BDBM50386801
LEQBIYIYFWBWEQ-OAQYLSRUSA-N
SCHEMBL204936
Inchi KeyLEQBIYIYFWBWEQ-OAQYLSRUSA-N
Inchi IDInChI=1S/C29H30Cl2O7S/c1-17-26(18(2)28(31)29(27(17)30)36-10-5-11-39(3,34)35)20-7-4-6-19(12-20)15-37-22-8-9-23-21(13-25(32)33)16-38-24(23)14-22/h4,6-9,12,14,21H,5,10-11,13,15-16H2,1-3H3,(H,32,33)/t21-/m1/s1
PubChem CID24857376
ChEMBLCHEMBL2047170
IUPHARN/A
BindingDB50386801
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
185498Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
185499Free fatty acid receptor 1Q8K3T4Ffar1Rattus norvegicus (Rat)300

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