IGURATIMOD

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4IHY34Y2NV

Structure
InChI Key ANMATWQYLIFGOK-UHFFFAOYSA-N
Smile CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H14N2O6S
Molecular Weight 374.37
AlogP 2.53
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 114.71
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase-2 inhibitor PubMed PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- 6810 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Arthritis, Rheumatoid 3 D001172 ClinicalTrials
Sjogren's Syndrome 2 D012859 ClinicalTrials
Lupus Nephritis 2 D008181 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 123663-49-0
ChEBI 31689
ChEMBL CHEMBL2107455
DrugBank DB12233
DrugCentral 4894
EPA CompTox DTXSID0048971
FDA SRS 4IHY34Y2NV
Guide to Pharmacology 9736
PubChem 124246
SureChEMBL SCHEMBL26326
ZINC ZINC000100018451
CONTENTS