IGURATIMOD

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Synonyms
Status
Molecule Category Free-form
UNII 4IHY34Y2NV
EPA CompTox DTXSID0048971

Structure

InChI Key ANMATWQYLIFGOK-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
Cyclooxygenase-2 inhibitor INHIBITOR PubMed PubMed PubMed PubMed PubMed

Target Conservation

Protein: Macrophage migration inhibitory factor
Description: Macrophage migration inhibitory factor
Organism : Homo sapiens
P14174 ENSG00000240972
Protein: Cyclooxygenase-2
Description: Prostaglandin G/H synthase 2
Organism : Homo sapiens
P35354 ENSG00000073756

Cross References

Resources Reference
ChEBI 31689
ChEMBL CHEMBL2107455
DrugBank DB12233
DrugCentral 4894
FDA SRS 4IHY34Y2NV
Guide to Pharmacology 9736
PubChem 124246
SureChEMBL SCHEMBL26326
ZINC ZINC000100018451
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