OXYPHENBUTAZONE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Mixture
ATC M01AA03 M02AA04 S01BC02
UNII A7D84513GV
EPA CompTox DTXSID1045291

Structure

InChI Key HFHZKZSRXITVMK-UHFFFAOYSA-N
Smiles CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O
InChI
InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22N2O4
Molecular Weight 342.4
AlogP 3.49
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 60.85
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase inhibitor INHIBITOR KEGG PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 42.04-83.15
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 42.04-83.15
Mus musculus
- - - - 29

Target Conservation

Protein: Cyclooxygenase
Description: Prostaglandin G/H synthase 1
Organism : Homo sapiens
P23219 ENSG00000095303
Protein: Cyclooxygenase
Description: Prostaglandin G/H synthase 2
Organism : Homo sapiens
P35354 ENSG00000073756

Cross References

Resources Reference
ChEBI 76258
ChEMBL CHEMBL1228
DrugBank DB03585
DrugCentral 2036
FDA SRS A7D84513GV
KEGG C19494
PDB OPB
PharmGKB PA450750
PubChem 104811
SureChEMBL SCHEMBL25857
ZINC ZINC05554746
ChEBI 76259
ChEMBL CHEMBL3989676
FDA SRS H806S4B3NS
KEGG C19494
PDB OPB
PubChem 104811
SureChEMBL SCHEMBL25854
ZINC ZINC05554746
CONTENTS