ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL556
CHEMBL556
Compound Name DEFEROXAMINE
ChEMBL Synonyms Desferal Mesylate | Desferrioxamine Mesylate | Desferrioxamine Mesilate | Deferoxamine Mesylate | Deferoxamine Mesilate | Deferoxamine HCl | BA-33112 | Desferal | Deferoxamine | Desferrioxamine | BA-29837
Max Phase 4 (Approved)
Trade Names Desferal | Desferal Mesylate | Deferoxamine Mesylate | Desferrioxamine Mesylate
Molecular Formula C25H48N6O8

Additional synonyms for CHEMBL556 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
Standard InChI InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-1 ...
Download InChI
Standard InChI Key UBQYURCVBFRUQT-UHFFFAOYSA-N

Mechanism of Action

Mechanism of Action ChEMBL Target References
Iron chelating agent Iron DailyMed

Molecule Features

CHEMBL556 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 8 structural alerts for CHEMBL556. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL556

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
560.7 560.3534 -0.89 23 205.84 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 6 2 14 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.08 10.56 -.61 -3.4 0 39 0.05

Compound Cross References

ATC V - VARIOUS
V03 - ALL OTHER THERAPEUTIC PRODUCTS
V03A - ALL OTHER THERAPEUTIC PRODUCTS
V03AC - Iron chelating agents
V03AC01 - deferoxamine

ChemSpider ChemSpider:UBQYURCVBFRUQT-UHFFFAOYSA-N
DailyMed deferoxamine mesylate
PubChem SID: 93577020
Wikipedia Deferoxamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL556



ACToR 70-51-9
Atlas deferoxamine DFO
BindingDB 47715
ChEBI 4356
DrugBank DB00746
eMolecules 741869
FDA SRS J06Y7MXW4D
Human Metabolome Database HMDB14884
IBM Patent System D9696139110D77016321E5CDA2DFACB8
LINCS LSM-6541
Mcule MCULE-3095507442
Nikkaji J10.199K
PubChem 2973
PubChem: Drugs of the Future 12014086
PubChem: Thomson Pharma 14788466
SureChEMBL SCHEMBL34571

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UBQYURCVBFRUQT-UHFFFAOYSA-N spacer
spacer