EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:231366 - TAK-733
| Formula | C17H15F2IN4O4 |
| Net Charge | 0 |
| Average Mass | 504.231 |
| Monoisotopic Mass | 504.01061 |
| SMILES | Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21 |
| InChI | InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1 |
| InChIKey | RCLQNICOARASSR-SECBINFHSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24). |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TAK-733 (CHEBI:231366) has role anti-inflammatory agent (CHEBI:67079) |
| TAK-733 (CHEBI:231366) has role antineoplastic agent (CHEBI:35610) |
| TAK-733 (CHEBI:231366) has role apoptosis inducer (CHEBI:68495) |
| TAK-733 (CHEBI:231366) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091) |
| TAK-733 (CHEBI:231366) is a diol (CHEBI:23824) |
| TAK-733 (CHEBI:231366) is a monofluorobenzenes (CHEBI:83575) |
| TAK-733 (CHEBI:231366) is a organoiodine compound (CHEBI:37142) |
| TAK-733 (CHEBI:231366) is a primary alcohol (CHEBI:15734) |
| TAK-733 (CHEBI:231366) is a pyridopyrimidine (CHEBI:38932) |
| TAK-733 (CHEBI:231366) is a secondary alcohol (CHEBI:35681) |
| TAK-733 (CHEBI:231366) is a secondary amino compound (CHEBI:50995) |
| TAK-733 (CHEBI:231366) is a substituted aniline (CHEBI:48975) |
| IUPAC Name |
|---|
| 3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione |
| Synonyms | Source |
|---|---|
| 3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodo-phenyl)amino]-8-methyl-pyrido[2,3-d]pyrimidine-4,7-dione | PDBeChem |
| (R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione | ChEBI |
| TAK 733 | SUBMITTER |
| TAK733 | SUBMITTER |
| Citations |
|---|