daunorubicin

Ligand id: 7063

Name: daunorubicin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 185.84
Molecular weight 527.18
XLogP -1.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes (source: FDA (1979))
IUPAC Name
(8S,10S)-8-acetyl-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
International Nonproprietary Names
INN number INN
2257 daunorubicin
Synonyms
Cerubidine®
daunomycin
FI-6339
NDC-0082-4155
RP-13057
Database Links
CAS Registry No. 20830-81-3
ChEBI CHEBI:41977
ChEMBL Ligand CHEMBL178
DrugBank Ligand DB00694
PubChem CID 30323
RCSB PDB Ligand DM1
Search Google for chemical match using the InChIKey STQGQHZAVUOBTE-VGBVRHCVSA-N
Search Google for chemicals with the same backbone STQGQHZAVUOBTE
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Wikipedia Daunorubicin
Comments
daunorubicin is an anthracycline class chemotherapeutic for cancer treatment. It is on the World Health Organization's List of Essential Medicines (link to 2015 list).