Bioactive Compound Details
| Compound ID: | B126282 |
| Source ID: | CHEMBL3545252 |
| Source Type: | Small molecule |
| Compound Name: | DOCETAXEL |
| Synonyms: | BIND 014|CKD-810|DOCEFREZ|DOCETAXEL|DOCETAXEL (AS TRIHYDRATE)|DOCETAXEL ANHYDROUS|DOCETAXEL HYDRATE|DOCETAXEL TRIHYDRATE|NSC-628503|RP 56976|RP-56976|TAXCEUS|Taxotere|XRP6976 |
| Molecular Formula: | C43H59NO17 |
| SMILES: | CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.O.O.O |
| Molecular Species: | NEUTRAL |
| Target ID | Target Name | GENE | Action | Class | UniProtKB ID | Entry Name | |
|---|---|---|---|---|---|---|---|
| T15 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | HMGCR | inhibitor | Enzyme | P04035 | HMDH_HUMAN | Details |
| T10 | Caspase-1 | CASP1 | inhibitor | Enzyme | P29466 | CASP1_HUMAN | Details |
| T24 | C-C chemokine receptor type 2 | CCR2 | antagonist | GPCR | P41597 | CCR2_HUMAN | Details |
| T25 | C-C chemokine receptor type 5 | CCR5 | antagonist | GPCR | P51681 | CCR5_HUMAN | Details |