| Drug Name: | Docetaxel (114977-28-5) |
|---|---|
| PubChem ID: | 148124 |
| SMILES: | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O |
| InchiKey: | ZDZOTLJHXYCWBA-VCVYQWHSSA-N |
| Therapeutic Category: | Antimitotic Agents, Antineoplastic Agents, Mitosis Modulators, Tubulin Modulators |
| Molecular Weight (dalton) | : | 807.89 |
| LogP | : | 3.2596 |
| Ring Count | : | 2 |
| Hydrogen Bond Acceptor Count | : | 14 |
| Hydrogen Bond Donor Count | : | 5 |
| Total Polar Surface Area | : | 224.45 |
This panel provides information on interacting drugs and their ADRs along with references
| Interacting drug | Toxicity | Interaction Type | Mechanism | Reference |
|---|---|---|---|---|
| Ketoconazole (65277-42-1) | Neutropenia | Synergistic | Metabolism of docetaxel is mainly mediated by the cytochrome P450 isoenzyme CYP3A family, ketoconazole inhibitor of CYP3A | Effect of cytochrome P450 3A4 inhibition on the pharmacokinetics of docetaxel |
This panel provides drug-protein interaction and their ADRs along with references
| Toxicity | Interacting Protein | Mechanism | Reference |
|---|---|---|---|
| Cell Death | Apoptosis regulator Bcl-2 (P10415) | Docetaxel is able to activate caspase-3@ induce Bcl-2 phosphorylation and apoptosis in cells that show a prolonged G2/M arrest@ but cells may also die by a caspase-3-independent cell death mechanism [ ADR Type 2 ] | Variation in the kinetics of caspase-3 activation, Bcl-2 phosphorylation and apoptotic morphology in unselected human ovarian cancer cell lines as a response to docetaxel |
| Cell Death | Caspase-3 (P42574) | Docetaxel is able to activate caspase-3@ induce Bcl-2 phosphorylation and apoptosis in cells that show a prolonged G2/M arrest@ but cells may also die by a caspase-3-independent cell death mechanism [ ADR Type 2 ] | Variation in the kinetics of caspase-3 activation, Bcl-2 phosphorylation and apoptotic morphology in unselected human ovarian cancer cell lines as a response to docetaxel |
This panel provides drug-food interactions and their ADRs along with references
| Food | Toxicity | Reference |
|---|
This panel provides information on metabolites and their ADRs along with references
| Metabolite | Toxicity | Place of Metabolism | Mechanism | Reference |
|---|
This panel provides information on drug category