SULFINPYRAZONE

Search structure
Trade Names:
Synonyms:
Status: Approved (1959)
Entry Type: Small molecule
Molecule Category: Parent
ATC: M04AB02
UNII: V6OFU47K3W

Structure
InChI Key MBGGBVCUIVRRBF-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 57.69
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Solute carrier family 22 member 12 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
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) N-formyl methionyl peptide receptor N-formyl methionyl peptide receptor
- 10000 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 44
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 100000 - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 11000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 57-96-5
ChEBI 9342
ChEMBL CHEMBL832
DrugBank DB01138
DrugCentral 2528
EPA CompTox DTXSID0023618
FDA SRS V6OFU47K3W
Human Metabolome Database HMDB0015269
Guide to Pharmacology 5826
KEGG C07317
PharmGKB PA451550
PubChem 5342
SureChEMBL SCHEMBL34421
ZINC ZINC03831483
CONTENTS