ISOXICAM

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8XU734C4NG

Structure
InChI Key YYUAYBYLJSNDCX-UHFFFAOYSA-N
Smile Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1
InChI
InChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H13N3O5S
Molecular Weight 335.34
AlogP 1.48
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 112.74
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - -2-10
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 111

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 76163
ChEMBL CHEMBL53292
DrugBank DB08942
DrugCentral 1509
EPA CompTox DTXSID0045462
FDA SRS 8XU734C4NG
PDB ICD
PharmGKB PA166049183
PubChem 54677972
SureChEMBL SCHEMBL25947
ZINC ZINC000049538599
CONTENTS