DEXRAZOXANE

Search structure
Synonyms:
Status: Approved (1995)
Entry Type: Small molecule
Molecule Category: Parent
ATC: V03AF02
UNII: 048L81261F

Structure
InChI Key BMKDZUISNHGIBY-ZETCQYMHSA-N
Smile C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
InChI
InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16N4O4
Molecular Weight 268.27
AlogP -2.71
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 98.82
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA topoisomerase II inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Isomerase
- 40000 - - -
Enzyme Transferase
- - - - 30.8
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -0.73-0.97

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia 3 D007938 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 3 D054198 ClinicalTrials
Hepatoblastoma 3 D018197 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 3 D016403 ClinicalTrials
Leukemia, Myeloid, Acute 2 D015470 ClinicalTrials
Rhabdomyosarcoma 2 D012208 ClinicalTrials
Neuroblastoma 2 D009447 ClinicalTrials
Sarcoma, Ewing 2 D012512 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Multiple Sclerosis 2 D009103 ClinicalTrials
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Ganglioneuroblastoma 2 D018305 ClinicalTrials
Heart Defects, Congenital 1 D006330 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Osteosarcoma 1 D012516 ClinicalTrials

Related Entries

Scaffolds

UNKNOWN

Cross References

Resources Reference
CAS NUMBER 24584-09-6
ChEBI 50223
ChEMBL CHEMBL1738
DrugBank DB02444
DrugCentral 839
EPA CompTox DTXSID3040647
FDA SRS 048L81261F
Human Metabolome Database HMDB14524
Guide to Pharmacology 7330
PharmGKB PA449259
PubChem 71384
SureChEMBL SCHEMBL18400
ZINC ZINC000087515509
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