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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL70927
CHEMBL70927
Compound Name DEFERIPRONE
ChEMBL Synonyms DEFERIPRONE | FERRIPROX | APO-066 | APO-66 | PL1 | DN-180-01-AF | L1 | CP20
Max Phase 4 (Approved)
Trade Names FERRIPROX
Molecular Formula C7H9NO2

Additional synonyms for CHEMBL70927 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C=CC(=O)C(=C1C)O
Standard InChI InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3
Standard InChI Key TZXKOCQBRNJULO-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL70927

Molecule Features

CHEMBL70927 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
beta-ThalassemiaD017086Orphanet:231214Beta-thalassemia major2ClinicalTrials
Pantothenate Kinase-Associated NeurodegenerationD006211Orphanet:157850Pantothenate kinase-associated neurodegeneration3ClinicalTrials
Amyotrophic Lateral SclerosisD000690EFO:0000253amyotrophic lateral sclerosis2ClinicalTrials
HIV InfectionsD015658EFO:0000764HIV infection1ClinicalTrials
Cognitive DysfunctionD060825HP:0100543cognitive impairment0ClinicalTrials
Acute Kidney InjuryD058186HP:0001919Acute kidney injury3ClinicalTrials
Friedreich AtaxiaD005621Orphanet:95Friedreich ataxia2ClinicalTrials
HemochromatosisD006432EFO:1000642hemochromatosis3ClinicalTrials
Parkinson DiseaseD010300EFO:0002508Parkinson's disease2ClinicalTrials
Anemia, Sickle CellD000755Orphanet:232Sickle cell anemia1ClinicalTrials

Clinical Data

ClinicalTrials.gov DEFERIPRONE
The Cochrane Collaboration DEFERIPRONE

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
139.2 139.0633 0.4 0 42.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.9 2.15 -.65 -.66 1 10 0.56

Structural Alerts

There are 3 structural alerts for CHEMBL70927. To view alerts please click here.

Compound Cross References

ATC V - VARIOUS
V03 - ALL OTHER THERAPEUTIC PRODUCTS
V03A - ALL OTHER THERAPEUTIC PRODUCTS
V03AC - Iron chelating agents
V03AC02 - deferiprone

ChemSpider ChemSpider:TZXKOCQBRNJULO-UHFFFAOYSA-N
DailyMed deferiprone
PubChem SID: 104233432 SID: 144205982 SID: 26719648 SID: 26752603 SID: 8139956
Wikipedia Deferiprone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL70927



ACToR 30652-11-0
Brenda 102002 5318
ChEBI 68554
DrugBank DB08826
DrugCentral 4188
eMolecules 502935
EPA CompTox Dashboard DTXSID6040666
FDA SRS 2BTY8KH53L
Guide to Pharmacology 7456
IBM Patent System 9EDF3BCB110A4D91114011B21A626B58
LINCS LSM-36972
Mcule MCULE-6406005067
MolPort MolPort-001-792-505
NIH Clinical Collection SAM001247015
Nikkaji J134.056E
NMRShiftDB 20208688
PharmGKB PA166118041
PubChem 2972
PubChem: Drugs of the Future 12014095
PubChem: Thomson Pharma 15120034
Selleck deferiprone
SureChEMBL SCHEMBL94474
ZINC ZINC000000006226

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