DOXORUBICIN (BRD-A76941896)
Overview
- pert_id
- BRD-A76941896
- Name
- doxorubicin
- Synonyms
- adriamycin; S1208
- Collection
- BIOA
- Summary
- Doxorubicin (Adriamycin) is an antibiotic agent that inhibits DNA topoisomerase II and induces DNA damage and apoptosis.
- MOA
- topoisomerase inhibitor
- Target(s)
- TOP2A
- Indication(s)
- acute lymphoblastic leukemia (ALL), acute myeloid leukemia (AML), Wilm's tumor, breast cancer, ovarian cancer, Hodgkin's lymphoma, bladder cancer, multiple myeloma
- Phase
- Launched
- Canonical SMILES
- COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO
- InChI key
- InChIKey=AOJJSUZBOXZQNB-UHFFFAOYSA-N
- InChI string
- InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3
- Molecular formula
- C27H29NO11
- Molecular weight
- 543.519
External links
- PubChem
- 1691
- Wikipedia
- http://en.wikipedia.org/wiki/Doxorubicin
- SEP-L1000
- BRD-A76941896
Predicted MOAs
| MOA | Probability |
|---|---|
| topoisomerase inhibitor | 0.9928 |
| HSP inhibitor | 0.0008 |
| protein synthesis inhibitor | 0.0006 |
| tubulin polymerization inhibitor | 0.0005 |
| NFkB pathway inhibitor | 0.0004 |
| MEK inhibitor | 0.0004 |
| adrenergic receptor antagonist | 0.0003 |
| mTOR inhibitor | 0.0003 |
| EGFR inhibitor | 0.0003 |
| HDAC inhibitor | 0.0003 |
Chemical structure
Diagnoses (based on Mount Sinai EHR)
Top diagnoses associated with doxorubicin:
Co-prescribed Drugs (based on Mount Sinai EHR)
Top coprescribed drugs of doxorubicin:
Age Distribution (based on Mount Sinai EHR)
Probability distribution for the prescription of doxorubicin across different ages: