EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H11N3O2S |
| Net Charge | 0 |
| Average Mass | 333.372 |
| Monoisotopic Mass | 333.05720 |
| SMILES | [H]C(=C1SC(=O)NC1=O)c1ccc2nccc(-c3ccncc3)c2c1 |
| InChI | InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23) |
| InChIKey | QDITZBLZQQZVEE-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor An inhibitor of phosphatidylinositol 3-kinase, EC 2.7.1.137, a family of related enzymes capable of phosphorylating the 3 position hydroxy group of the inositol ring of a phosphatidylinositol. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| GSK1059615 (CHEBI:71955) has role antineoplastic agent (CHEBI:35610) |
| GSK1059615 (CHEBI:71955) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914) |
| GSK1059615 (CHEBI:71955) is a pyridines (CHEBI:26421) |
| GSK1059615 (CHEBI:71955) is a quinolines (CHEBI:26513) |
| GSK1059615 (CHEBI:71955) is a thiazolidinone (CHEBI:48891) |
| Synonym | Source |
|---|---|
| 5-{[4-(pyridin-4-yl)quinolin-6-yl]methylene}-1,3-thiazolidine-2,4-dione | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LSM-1173 | LINCS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:20875363 | Reaxys |