idarubicin

Ligand id: 7083

Name: idarubicin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 3
Topological polar surface area 176.61
Molecular weight 497.17
XLogP -0.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes (FDA (1990))
IUPAC Name
(7S,9S)-9-acetyl-7-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
International Nonproprietary Names
INN number INN
5174 idarubicin
Synonyms
Idamycin® | IMI-30 | Zavedos®
Database Links
CAS Registry No. 58957-92-9
ChEBI CHEBI:42068
ChEMBL Ligand CHEMBL1117
DrugBank Ligand DB01177
GtoPdb PubChem SID 178103662
PubChem CID 42890
RCSB PDB Ligand DM5
Search Google for chemical match using the InChIKey XDXDZDZNSLXDNA-TZNDIEGXSA-N
Search Google for chemicals with the same backbone XDXDZDZNSLXDNA
Search PubMed clinical trials idarubicin
Search PubMed titles idarubicin
Search PubMed titles/abstracts idarubicin
Search UniChem for chemical match using the InChIKey XDXDZDZNSLXDNA-TZNDIEGXSA-N
Search UniChem for chemicals with the same backbone XDXDZDZNSLXDNA
Wikipedia Idarubicin
Comments
Idarubicin is an anthracycline type antineoplastic drug.