OXAPROZIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC M01AE12
UNII MHJ80W9LRB
EPA CompTox DTXSID1045118

Structure

InChI Key OFPXSFXSNFPTHF-UHFFFAOYSA-N
Smiles O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChI
InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H15NO3
Molecular Weight 293.32
AlogP 4.03
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 63.33
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase inhibitor INHIBITOR PubMed PubMed PubMed PubMed PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 110-740 - - -
Secreted protein
- - 640 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 71.47-322.54
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 71.47-322.54
Homo sapiens
- 110-740 640 - -

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 7822
ChEMBL CHEMBL1071
DrugBank DB00991
DrugCentral 2013
FDA SRS MHJ80W9LRB
Human Metabolome Database HMDB0015126
Guide to Pharmacology 7252
KEGG C07356
PharmGKB PA450730
PubChem 4614
SureChEMBL SCHEMBL3286
ZINC ZINC000049643479
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