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Name | CHEMBL246929 |
---|---|
Molecular formula | C22H21ClN2O5S |
IUPAC name | 3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-1,2-oxazol-3-yl]phenyl]methylsulfanyl]propanoic acid |
Molecular weight | 460.929 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 4.1 |
Synonyms | BDBM50211649 SCHEMBL4023283 3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxazol-3-yl)benzylthio)propanoic acid |
Inchi Key | SDOSDDJQFQQVLN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)30-22(28)24-19-12-29-25-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,24,28)(H,26,27) |
PubChem CID | 11374611 |
ChEMBL | CHEMBL246929 |
IUPHAR | N/A |
BindingDB | 50211649 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
311659 | Lysophosphatidic acid receptor 1 | P61794 | Lpar1 | Rattus norvegicus (Rat) | 364 |
311660 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
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