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Name | CHEMBL483303 |
---|---|
Molecular formula | C17H16O5S |
IUPAC name | 4-[(E)-2-(4-ethoxycarbonylphenyl)ethenyl]benzenesulfonic acid |
Molecular weight | 332.37 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.2 |
Synonyms | NSC-18749 4-(4-(ethoxycarbonyl)styryl)benzenesulfonic acid ZINC1561848 AC1NV8TC 4-[(E)-2-(4-ethoxycarbonylphenyl)ethenyl]benzenesulfonic acid [ Show all ] |
Inchi Key | NRRCVYNRSGAPOK-ONEGZZNKSA-N |
Inchi ID | InChI=1S/C17H16O5S/c1-2-22-17(18)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)23(19,20)21/h3-12H,2H2,1H3,(H,19,20,21)/b4-3+ |
PubChem CID | 5473680 |
ChEMBL | CHEMBL483303 |
IUPHAR | N/A |
BindingDB | 50271700 |
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 |
---|---|---|---|---|---|
230379 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
230380 | Lysophosphatidic acid receptor 2 | Q9HBW0 | LPAR2 | Homo sapiens (Human) | 351 |
230381 | Lysophosphatidic acid receptor 3 | Q9UBY5 | LPAR3 | Homo sapiens (Human) | 353 |
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