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CHEBI:95083 - I-BET151
| Formula | C23H21N5O3 |
| Net Charge | 0 |
| Average Mass | 415.453 |
| Monoisotopic Mass | 415.16444 |
| SMILES | COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(=O)n([C@H](C)c3ccccn3)c12 |
| InChI | InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1 |
| InChIKey | VUVUVNZRUGEAHB-CYBMUJFWSA-N |
| Roles Classification |
|---|
| Biological Roles: | BET bromodomain inhibitor Any inhibitor of BET proteins. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| I-BET151 (CHEBI:95083) has role antineoplastic agent (CHEBI:35610) |
| I-BET151 (CHEBI:95083) has role apoptosis inducer (CHEBI:68495) |
| I-BET151 (CHEBI:95083) has role BET bromodomain inhibitor (CHEBI:231729) |
| I-BET151 (CHEBI:95083) is a aromatic ether (CHEBI:35618) |
| I-BET151 (CHEBI:95083) is a imidazoquinoline (CHEBI:38776) |
| I-BET151 (CHEBI:95083) is a isoxazoles (CHEBI:55373) |
| I-BET151 (CHEBI:95083) is a pyridines (CHEBI:26421) |
| IUPAC Name |
|---|
| 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-(pyridin-2-yl)ethyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one |
| Synonyms | Source |
|---|---|
| 7-(3,5-dimethyl-4-isoxazolyl)-8-methoxy-1-[(1R)-1-(2-pyridinyl)ethyl]-3H-imidazo[4,5-c]quinolin-2-one | ChEBI |
| GSK1210151A | ChEBI |
| GSK 1210151A | ChEBI |
| GSK-1210151A | ChEBI |
| I-BET 151 | ChEBI |
| GSK1210151 | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LSM-6335 | LINCS |
| Registry Numbers | Sources |
|---|---|
| CAS:1300031-49-5 | ChEBI |
| Citations |
|---|