ALDOXORUBICIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Parent
UNII: C28MV4IM0B

Structure
InChI Key OBMJQRLIQQTJLR-USGQOSEYSA-N
Smile COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCN1C(=O)C=CC1=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
InChI
InChI=1S/C37H42N4O13/c1-17-32(46)20(38)13-27(53-17)54-22-15-37(51,23(16-42)39-40-24(43)9-4-3-5-12-41-25(44)10-11-26(41)45)14-19-29(22)36(50)31-30(34(19)48)33(47)18-7-6-8-21(52-2)28(18)35(31)49/h6-8,10-11,17,20,22,27,32,42,46,48,50-51H,3-5,9,12-16,38H2,1-2H3,(H,40,43)/b39-23+/t17-,20-,22-,27-,32+,37-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H42N4O13
Molecular Weight 750.76
AlogP 0.39
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 12.0
Polar Surface Area 267.84
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 54.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sarcoma 3 D012509 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Carcinoma, Pancreatic Ductal 2 D021441 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 1361644-26-9
ChEMBL CHEMBL2107818
DrugBank DB06013
FDA SRS C28MV4IM0B
PubChem 9810709
SureChEMBL SCHEMBL15221892
ZINC ZINC000085540119
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