doxorubicin

Ligand id: 7069

Name: doxorubicin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 5
Topological polar surface area 206.07
Molecular weight 543.17
XLogP -1.68
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes (source: FDA (1974), EMA (1996))
IUPAC Name
(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
International Nonproprietary Names
INN number INN
3005 doxorubicin
Synonyms
Adriamycin® | Caelyx® (liposomal doxorubicin) | Doxil® | doxorubicin hydrochloride
Database Links
CAS Registry No. 23214-92-8
ChEBI CHEBI:28748
ChEMBL Ligand CHEMBL53463
DrugBank Ligand DB00997
PubChem CID 31703
RCSB PDB Ligand DM2
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Search PubMed clinical trials doxorubicin
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Wikipedia Doxorubicin
Comments
Doxorubicin is an anthracycline type anti-neoplastic drug.