SULFINPYRAZONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC M04AB02
UNII V6OFU47K3W
EPA CompTox DTXSID0023618

Structure

InChI Key MBGGBVCUIVRRBF-UHFFFAOYSA-N
Smiles O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1
InChI
InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H20N2O3S
Molecular Weight 404.49
AlogP 3.8
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 57.69
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Solute carrier family 22 member 12 inhibitor INHIBITOR PubMed PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 83
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - - 27
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 43.93-55.19
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 43.93-55.19
unidentified
- - - - 27

Target Conservation

Protein: Solute carrier family 22 member 12
Description: Solute carrier family 22 member 12
Organism : Homo sapiens
Q96S37 ENSG00000197891

Related Entries

Cross References

Resources Reference
ChEBI 9342
ChEMBL CHEMBL832
DrugBank DB01138
DrugCentral 2528
FDA SRS V6OFU47K3W
Human Metabolome Database HMDB0015269
Guide to Pharmacology 5826
KEGG C07317
PharmGKB PA451550
PubChem 5342
SureChEMBL SCHEMBL34421
ZINC ZINC03831483
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