Repositioning Candidate Details
| Candidate ID: | R0443 |
| Source ID: | DB01196 |
| Source Type: | approved; investigational |
| Compound Type: | small molecule |
| Compound Name: | Estramustine |
| Synonyms: | 17β-Estradiol 3-(bis(2-chloroethyl)carbamate); Estradiol 3-(N,N-bis(2-chloroethyl)carbamate) |
| Molecular Formula: | C23H31Cl2NO3 |
| SMILES: | [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H] |
| Structure: |
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| DrugBank Description: | A nitrogen mustard linked to estradiol, usually as phosphate; used to treat prostatic neoplasms; also has radiation protective properties. |
| CAS Number: | 2998-57-4 |
| Molecular Weight: | 440.403 |
| DrugBank Indication: | For the palliative treatment of patients with metastatic and/or progressive carcinoma of the prostate |
| DrugBank Pharmacology: | Estramustine is an antineoplastic agent indicated in the palliative treatment of patients with metastatic and/or progressive carcinoma of the prostate. Estramustine is a combination of estradiol with nitrogen mustard. In vivo, the nitrogen-mustard moiety becomes active and participates in alkylation of DNA or other cellular components.. This causes DNA damage in rapidly dividing cancerous cells leading to cell death and ideally, tumor shrinkage. |
| DrugBank MoA: | Estramustine is a derivative of estradiol with a nitrogen mustard moiety. This gives it alkylating properties. In vivo, the nitrogen mustard component is active and can alklyate DNA and other cellular components (such as tubulin components) of rapidly dividing cells. This causes DNA strandbreaks or misscoding events. This leads to apoptosis and cell death. Also, due to the drugs estrogen component, it can bind more selectively to active estrogen receptors. |
| Targets: | Microtubule-associated protein 2 antagonist; Microtubule-associated protein 1A antagonist; Estrogen receptor alpha agonist; Estrogen receptor beta other/unknown |
| Inclusion Criteria: | Therapeutic strategy associated |
