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CHEBI:231669 - GSK046
| Formula | C23H27FN2O4 |
| Net Charge | 0 |
| Average Mass | 414.477 |
| Monoisotopic Mass | 414.19549 |
| SMILES | CC(=O)Nc1c(F)cc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1O[C@@H](C)c1ccccc1 |
| InChI | InChI=1S/C23H27FN2O4/c1-14(16-6-4-3-5-7-16)30-21-13-17(12-20(24)22(21)25-15(2)27)23(29)26-18-8-10-19(28)11-9-18/h3-7,12-14,18-19,28H,8-11H2,1-2H3,(H,25,27)(H,26,29)/t14-,18-,19-/m0/s1 |
| InChIKey | FRBRZGLUFOZRGD-JVPBZIDWSA-N |
| Roles Classification |
|---|
| Biological Role: | bromodomain-containing protein 4 inhibitor Any inhibitor of bromodomain-containing protein 4 (BRD4). |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| GSK046 (CHEBI:231669) has role antineoplastic agent (CHEBI:35610) |
| GSK046 (CHEBI:231669) has role bromodomain-containing protein 4 inhibitor (CHEBI:137114) |
| GSK046 (CHEBI:231669) is a acetamides (CHEBI:22160) |
| GSK046 (CHEBI:231669) is a aromatic ether (CHEBI:35618) |
| GSK046 (CHEBI:231669) is a benzamides (CHEBI:22702) |
| GSK046 (CHEBI:231669) is a benzenes (CHEBI:22712) |
| GSK046 (CHEBI:231669) is a cyclohexanols (CHEBI:23480) |
| GSK046 (CHEBI:231669) is a monofluorobenzenes (CHEBI:83575) |
| GSK046 (CHEBI:231669) is a secondary carboxamide (CHEBI:140325) |
| IUPAC Name |
|---|
| 4-acetamido-3-fluoro-N-[(1r,4S)-4-hydroxycyclohexyl]-5-[(1S)-1-phenylethoxy]benzamide |
| Synonyms | Source |
|---|---|
| iBET-BD2 | SUBMITTER |
| 4-acetamido-3-fluoro-N-(trans-4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide | SUBMITTER |
| GSK 046 | ChEBI |
| GSK-046 | ChEBI |
| 4-acetamido-3-fluoro-N-((1R,4S)-4-hydroxycyclohexyl)-5-((S)-1-phenylethoxy)benzamide | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LW5 | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| CAS:2474876-09-8 | SUBMITTER |
| Citations |
|---|