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Name | CHEMBL394038 |
---|---|
Molecular formula | C22H21ClN2O7S |
IUPAC name | 3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-1,2-oxazol-3-yl]phenyl]methylsulfonyl]propanoic acid |
Molecular weight | 492.927 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 2.8 |
Synonyms | BDBM50211653 SCHEMBL4020601 3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxazol-3-yl)benzylsulfonyl)propanoic acid |
Inchi Key | BLCOTOQYDQOJFM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H21ClN2O7S/c1-14(17-4-2-3-5-18(17)23)32-22(28)24-19-12-31-25-21(19)16-8-6-15(7-9-16)13-33(29,30)11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,24,28)(H,26,27) |
PubChem CID | 11409276 |
ChEMBL | CHEMBL394038 |
IUPHAR | N/A |
BindingDB | 50211653 |
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 |
---|---|---|---|---|---|
26405 | Lysophosphatidic acid receptor 1 | P61794 | Lpar1 | Rattus norvegicus (Rat) | 364 |
26406 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
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