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Name | CHEMBL247959 |
---|---|
Molecular formula | C21H23ClN2O5S |
IUPAC name | 3-[[4-[4-[1-(2-chlorocyclopenten-1-yl)ethoxycarbonylamino]-1,2-oxazol-3-yl]phenyl]methylsulfanyl]propanoic acid |
Molecular weight | 450.934 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.2 |
Synonyms | SCHEMBL4023831 3-(4-(4-((1-(2-chlorocyclopent-1-enyl)ethoxy)carbonyl)isoxazol-3-yl)benzylthio)propanoic acid BDBM50211650 |
Inchi Key | RXTLJHATTIUSHW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H23ClN2O5S/c1-13(16-3-2-4-17(16)22)29-21(27)23-18-11-28-24-20(18)15-7-5-14(6-8-15)12-30-10-9-19(25)26/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,23,27)(H,25,26) |
PubChem CID | 11316893 |
ChEMBL | CHEMBL247959 |
IUPHAR | N/A |
BindingDB | 50211650 |
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 |
---|---|---|---|---|---|
307705 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
307706 | Lysophosphatidic acid receptor 1 | P61794 | Lpar1 | Rattus norvegicus (Rat) | 364 |
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