Iguratimod
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
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
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- PubChem Compound
- 124246
- PubChem Substance
- 347828512
- ChemSpider
- 110694
- ChEBI
- 31689
- ChEMBL
- CHEMBL2107455
- ZINC
- ZINC000100018451
- PDBe Ligand
- 7TN
- Wikipedia
- Iguratimod
- PDB Entries
- 8spn
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample dataNot Available Completed Not Available Rheumatoid Arthritis 1 somestatus stop reason just information to hide Not Available Recruiting Treatment Autoimmune Disorder 1 somestatus stop reason just information to hide Not Available Unknown Status Treatment Kidney Transplantation 1 somestatus stop reason just information to hide Not Available Unknown Status Treatment Lupus Nephritis 1 somestatus stop reason just information to hide Not Available Unknown Status Treatment Systemic Sclerosis, Diffuse 1 somestatus stop reason just information to hide
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
Property Value Source Water Solubility 0.0671 mg/mL ALOGPS logP 2.14 ALOGPS logP 0.43 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 6.84 Chemaxon pKa (Strongest Basic) -3.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 110.8 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 92.79 m3·mol-1 Chemaxon Polarizability 36.19 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004j-0009000000-c6a1fc5a9c942306fa17 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a7i-0049000000-7b40999b5f2735c56c24 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0029000000-8705a9ad6afb7b762a42 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0imi-2195000000-27b0c22578a3b5f71cd8 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-008i-2059000000-f3cbf9446303f18d5af7 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9052000000-a3d61acd55e42b61994c Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 205.5308168 predictedDarkChem Lite v0.1.0 [M-H]- 172.45456 predictedDeepCCS 1.0 (2019) [M+H]+ 206.6898168 predictedDarkChem Lite v0.1.0 [M+H]+ 174.81258 predictedDeepCCS 1.0 (2019) [M+Na]+ 205.2268168 predictedDarkChem Lite v0.1.0 [M+Na]+ 181.39502 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:41 / Updated at February 21, 2021 18:53