Repositioning Candidate Details
| Candidate ID: | R0761 |
| Source ID: | DB05297 |
| Source Type: | investigational |
| Compound Type: | small molecule |
| Compound Name: | Paclitaxel docosahexaenoic acid |
| Synonyms: | DHA Paclitaxel; DHA-paclitaxel; Paclitaxel 2'-(all-cis-4,7,10,13,16,19-docosahexaenoate); Paclitaxel docosahexaenoic acid ester |
| Molecular Formula: | C69H81NO15 |
| SMILES: | CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@]3([H])[C@@](C)([C@@H](O)C[C@@]4([H])OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Structure: |
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| DrugBank Description: | A combination of DHA (a natural fatty acid) and paclitaxel (an anticancer drug) being studied in the treatment of cancer. It is a type of mitotic inhibitor. |
| CAS Number: | 199796-52-6 |
| Molecular Weight: | 1164.3791 |
| DrugBank Indication: | Investigated for use/treatment in breast cancer, colorectal cancer, gastric cancer, kidney cancer, lung cancer, pancreatic cancer, prostate cancer, and skin cancer. |
| DrugBank Pharmacology: | -- |
| DrugBank MoA: | A prodrug comprised of the naturally occurring omega-3 fatty acid docosahexaenoic acid (DHA) covalently conjugated to the anti-microtubule agent paclitaxel. Because tumor cells take up DHA, DHA-paclitaxel is delivered directly to tumor tissue, where the paclitaxel moiety binds to tubulin and inhibits the disassembly of microtubules, thereby resulting in the inhibition of cell division. Paclitaxel also induces apoptosis by binding to and blocking the function of the apoptosis inhibitor protein Bcl-2 (B-cell Leukemia 2). DHA-paclitaxel exhibits improved pharmacokinetic and toxicity profiles when compared to conventional paclitaxel and has demonstrated antineoplastic activity in animal models of cancer. |
| Targets: | Apoptosis regulator Bcl-2 |
| Inclusion Criteria: | Therapeutic strategy associated |
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