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Name | CHEMBL2047170 |
---|---|
Molecular formula | C29H30Cl2O7S |
IUPAC name | 2-[(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 weight | 593.512 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 6.0 |
Synonyms | SCHEMBL204936 [(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 |
Inchi Key | LEQBIYIYFWBWEQ-OAQYLSRUSA-N |
Inchi ID | InChI=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 CID | 24857376 |
ChEMBL | CHEMBL2047170 |
IUPHAR | N/A |
BindingDB | 50386801 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
185498 | Free fatty acid receptor 1 | O14842 | FFAR1 | Homo sapiens (Human) | 300 |
185499 | Free fatty acid receptor 1 | Q8K3T4 | Ffar1 | Rattus norvegicus (Rat) | 300 |
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