EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:71953 - BGT226
| Formula | C28H25F3N6O2.C4H4O4 |
| Net Charge | 0 |
| Average Mass | 650.614 |
| Monoisotopic Mass | 650.21007 |
| SMILES | COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCNCC3)c(C(F)(F)F)c2)c(=O)n4C)cn1.O=C(O)/C=C\C(=O)O |
| InChI | InChI=1S/C28H25F3N6O2.C4H4O4/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36;5-3(6)1-2-4(7)8/h3-8,13-16,32H,9-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChIKey | YUXMAKUNSXIEKN-BTJKTKAUSA-N |
| Roles Classification |
|---|
| Biological Roles: | 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. mTOR inhibitor A protein kinase inhibitor of the mammalian target of rapamycin (mTOR), a protein that regulates cell growth, cell proliferation, cell motility, cell survival, protein synthesis and transcription. mTOR inhibitors are used to prevent transplant rejection and in treatment of cancer. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| BGT226 (CHEBI:71953) has part BGT226(1+) (CHEBI:71966) |
| BGT226 (CHEBI:71953) has role antineoplastic agent (CHEBI:35610) |
| BGT226 (CHEBI:71953) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914) |
| BGT226 (CHEBI:71953) has role mTOR inhibitor (CHEBI:68481) |
| BGT226 (CHEBI:71953) is a maleate salt (CHEBI:50221) |
| IUPAC Name |
|---|
| 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one (2Z)-but-2-enedioate |
| Synonyms | Source |
|---|---|
| NVP-BGT226 | ChEBI |
| BGT226 maleate salt | ChEBI |
| 4-{4-[8-(6-methoxypyridin-3-yl)-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl}piperazin-1-ium (2Z)-3-carboxyacrylate | IUPAC |
| Citations |
|---|