iguratimod

Ligand id: 9736

Name: iguratimod

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 119.18
Molecular weight 374.06
XLogP 2.58
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (China (2011), Japan (2012))
IUPAC Name
N-[7-methanesulfonamido-4-oxo-6-(phenoxy)chromen-3-yl]formamide
International Nonproprietary Names
INN number INN
8176 iguratimod
Synonyms
Careram® | Iremod | Kolbet® | T-614
Comments
Iguratimod is a methanesulfonanilide disease-modifying anti-rheumatic drug [1,5-6]. Evidence from a mouse colitis model shows an anti-inflammatory effect of iguratimod, partly via regulation of Th17/Treg cells [4], that suggest iguratimod as a novel therapeutic for the treatment of IBD.
Database Links
CAS Registry No. 123663-49-0 (source: WHO INN record)
ChEMBL Ligand CHEMBL2107455
GtoPdb PubChem SID 354702212
PubChem CID 124246
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