DEFEROXAMINE

Search structure
Synonyms:
Status: Approved (1968)
Entry Type: Small molecule
Molecule Category: Parent
ATC: V03AC01
UNII: J06Y7MXW4D

Structure
InChI Key UBQYURCVBFRUQT-UHFFFAOYSA-N
Smile CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
InChI
InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H48N6O8
Molecular Weight 560.69
AlogP 0.92
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 23.0
Polar Surface Area 205.84
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 39.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 5000 - - -
Secreted protein
- - - - 87-94
Transcription factor
17800 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
beta-Thalassemia 3 D017086 ClinicalTrials
Hemochromatosis 3 D006432 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Cerebral Hemorrhage 2 D002543 ClinicalTrials
Anemia, Sickle Cell 2 D000755 ClinicalTrials
Acute Kidney Injury 2 D058186 ClinicalTrials
Ischemic Stroke 2 D000083242 ClinicalTrials
Subarachnoid Hemorrhage 2 D013345 ClinicalTrials
Diabetic Foot 2 D017719 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Thalassemia 1 D013789 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 70-51-9
ChEBI 4356
ChEMBL CHEMBL556
DrugBank DB00746
DrugCentral 792
EPA CompTox DTXSID7022887
FDA SRS J06Y7MXW4D
Human Metabolome Database HMDB0014884
PharmGKB PA164746490
PubChem 2973
SureChEMBL SCHEMBL34571
ZINC ZINC000003830635
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