Deferitrin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Deferitrin
DrugBank Accession Number
DB16132
Background

Deferitrin is under investigation in clinical trial NCT00069862 (Iron Balance Study of DFO and GT56-252 in Patients With Transfusional Iron Overload Secondary to Beta-thalassemia).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 253.27
Monoisotopic: 253.040879012
Chemical Formula
C11H11NO4S
Synonyms
  • Deferitrin
External IDs
  • GT-56-252
  • GT56-252

Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
T69Y9LDN44
CAS number
239101-33-8
InChI Key
OEUUFNIKLCFNLN-LLVKDONJSA-N
InChI
InChI=1S/C11H11NO4S/c1-11(10(15)16)5-17-9(12-11)7-3-2-6(13)4-8(7)14/h2-4,13-14H,5H2,1H3,(H,15,16)/t11-/m1/s1
IUPAC Name
(4S)-2-(2,4-dihydroxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILES
C[C@@]1(CSC(=N1)C1=CC=C(O)C=C1O)C(O)=O

References

General References
Not Available
ChemSpider
19557411
ChEMBL
CHEMBL432481
ZINC
ZINC000013645794

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentBeta-Thalassemia1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.876 mg/mLALOGPS
logP1.6ALOGPS
logP2.5Chemaxon
logS-2.5ALOGPS
pKa (Strongest Acidic)3.17Chemaxon
pKa (Strongest Basic)0.49Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area90.12 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity64.07 m3·mol-1Chemaxon
Polarizability24.52 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-7299a7149166dd8aec64
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0zgi-0390000000-af491e9b8f18bda04281
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fe0-3790000000-24a14d9ca31e851130de
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-053r-0930000000-146158588ee9b9212a89
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-2900000000-0c7a02aaa14696ccdbfd
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00e9-5930000000-61c54b85dc3f206aeb64
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:13 / Updated at February 21, 2021 18:55