SUPROFEN

Search structure
Trade Names:
Synonyms:
Status: Approved (1985) Withdrawn (1987)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: M01AE07
UNII: 988GU2F9PE

Structure
InChI Key MDKGKXOCJGEUJW-UHFFFAOYSA-N
Smile CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1
InChI
InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12O3S
Molecular Weight 260.31
AlogP 3.17
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 54.37
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor PubMed
Primary Target
COX-1
COX-2
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- - - 3700-45000 -
Enzyme Oxidoreductase
- 2750 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 109

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 40828-46-4
ChEBI 9362
ChEMBL CHEMBL956
DrugBank DB00870
DrugCentral 2546
EPA CompTox DTXSID5045469
FDA SRS 988GU2F9PE
Human Metabolome Database HMDB0015008
Guide to Pharmacology 7298
KEGG C07320
PharmGKB PA451569
PubChem 5359
SureChEMBL SCHEMBL23792
ZINC ZINC00057504
CONTENTS