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

Identification

Generic Name
Iguratimod
DrugBank Accession Number
DB12233
Background

Iguratimod is under investigation in Rheumatoid Arthritis.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 374.37
Monoisotopic: 374.057257353
Chemical Formula
C17H14N2O6S
Synonyms
  • Iguratimod
External IDs
  • T 614
  • T-614

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzopyrans
Sub Class
1-benzopyrans
Direct Parent
Chromones
Alternative Parents
Diarylethers / Sulfanilides / Phenoxy compounds / Phenol ethers / N-arylamides / Pyranones and derivatives / Organosulfonamides / Organic sulfonamides / Aminosulfonyl compounds / Heteroaromatic compounds
show 6 more
Substituents
Aminosulfonyl compound / Aromatic heteropolycyclic compound / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Chromone / Diaryl ether / Ether / Heteroaromatic compound
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
4IHY34Y2NV
CAS number
123663-49-0
InChI Key
ANMATWQYLIFGOK-UHFFFAOYSA-N
InChI
InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)
IUPAC Name
N-(7-methanesulfonamido-4-oxo-6-phenoxy-4H-chromen-3-yl)formamide
SMILES
CS(=O)(=O)NC1=CC2=C(C=C1OC1=CC=CC=C1)C(=O)C(NC=O)=CO2

References

General References
Not Available
PubChem Compound
124246
PubChem Substance
347828512
ChemSpider
110694
ChEBI
31689
ChEMBL
CHEMBL2107455
ZINC
ZINC000100018451
Wikipedia
Iguratimod

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Active Not RecruitingTreatmentRheumatoid Arthritis1
4CompletedTreatmentRheumatoid Arthritis1
4RecruitingTreatmentPrimary Sjögren's Syndrome (pSS)1
4RecruitingTreatmentRheumatoid Arthritis1
4Unknown StatusTreatmentIgG4 Related Disease1
4Unknown StatusTreatmentRheumatoid Arthritis3
3CompletedTreatmentRheumatoid Arthritis1
2Not Yet RecruitingTreatmentImmune Thrombocytopenia (ITP)1
2RecruitingTreatmentImmune Thrombocytopenia (ITP)1
2RecruitingTreatmentLupus Nephritis1

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 Solubility0.0671 mg/mLALOGPS
logP2.14ALOGPS
logP0.43ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)6.84ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area110.8 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity92.79 m3·mol-1ChemAxon
Polarizability36.19 Å3ChemAxon
Number of Rings3ChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at October 20, 2016 21:41 / Updated at February 21, 2021 18:53