IDARUBICIN HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 5VV3MDU5IE
EPA CompTox DTXSID0047797
Parent Compound: IDARUBICIN

Structure

InChI Key JVHPTYWUBOQMBP-RVFAQHLVSA-N
Smiles CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cl
InChI
InChI=1S/C26H27NO9.ClH/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31;/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3;1H/t10-,15-,16-,17-,21+,26-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H28ClNO9
Molecular Weight 533.96
AlogP 1.02
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 176.61
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 36.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR DailyMed Wikipedia

Target Conservation

Protein: DNA topoisomerase II alpha
Description: DNA topoisomerase 2-alpha
Organism : Homo sapiens
P11388 ENSG00000131747

Cross References

Resources Reference
ChEBI 31686
ChEMBL CHEMBL1200976
FDA SRS 5VV3MDU5IE
PubChem 636362
SureChEMBL SCHEMBL4838
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