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 -0.04
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes (FDA (1974), EMA (1996))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
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
Comments
Doxorubicin is an anthracycline type anti-neoplastic drug.
Database Links
CAS Registry No. 23214-92-8
ChEBI CHEBI:28748
ChEMBL Ligand CHEMBL53463
DrugBank Ligand DB00997
GtoPdb PubChem SID 178103648
Immunopaedia Search doxorubicin
PubChem CID 31703
RCSB PDB Ligand DM2
Search Google for chemical match using the InChIKey AOJJSUZBOXZQNB-TZSSRYMLSA-N
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Search PubMed clinical trials doxorubicin
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Wikipedia Doxorubicin