AMRUBICIN HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Salt
UNII: EUL6MP8FZW
Parent Compound: AMRUBICIN

Structure
InChI Key BHMLHEQFWVQAJS-IITOGVPQSA-N
Smile CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O.Cl
InChI
InChI=1S/C25H25NO9.ClH/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31;/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3;1H/t14-,15+,16-,17-,25-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H26ClNO9
Molecular Weight 519.93
AlogP 0.63
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 176.61
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA topoisomerase II alpha inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Small Cell Lung Carcinoma 3 D055752 ClinicalTrials
Lung Neoplasms 3 D008175 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL481958
FDA SRS EUL6MP8FZW
PubChem 114897
SureChEMBL SCHEMBL491010
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