OXAPROZIN

Search structure
Trade Names:
Synonyms:
Status: Approved (1992)
Entry Type: Small molecule
Molecule Category: Parent
ATC: M01AE12
UNII: MHJ80W9LRB

Structure
InChI Key OFPXSFXSNFPTHF-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor
Primary Target
COX-1
COX-2
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0.1225
Enzyme Oxidoreductase
- 740-2200 - - -
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 200000 - - -
Enzyme Protease Serine protease Serine protease SC clan Serine protease S33 family
- 35500 - - -
Enzyme Transferase
- 1949.84 1200000 400000-900000 8.24
Enzyme
- 740-2200 1000000 400000-900000 0.1225
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 2.35-10.81
Membrane receptor
- - 113900 - -
Secreted protein
- - 640 - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 2 Nuclear hormone receptor subfamily 2 group B Nuclear hormone receptor subfamily 2 group B member 1
16100 - - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 2 Nuclear hormone receptor subfamily 2 group B Nuclear hormone receptor subfamily 2 group B member 2
25000 - - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 2 Nuclear hormone receptor subfamily 2 group B Nuclear hormone receptor subfamily 2 group B member 3
40100 - - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 4 Nuclear hormone receptor subfamily 4 group A Nuclear hormone receptor subfamily 4 group A member 1
- 16000-22000 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 4 Nuclear hormone receptor subfamily 4 group A Nuclear hormone receptor subfamily 4 group A member 2
- 12000-40000 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 4 Nuclear hormone receptor subfamily 4 group A Nuclear hormone receptor subfamily 4 group A member 3
- 22000 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 322.54
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 12000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Salt

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
46.88
General disorders and administration site conditions
10.88
Skin and subcutaneous tissue disorders
8.88
Gastrointestinal disorders
7.75
Injury, poisoning and procedural complications
4.38
Nervous system disorders
4.38
Musculoskeletal and connective tissue disorders
2.75
Vascular disorders
2.38

Cross References

Resources Reference
CAS NUMBER 21256-18-8
ChEBI 7822
ChEMBL CHEMBL1071
DrugBank DB00991
DrugCentral 2013
EPA CompTox DTXSID1045118
FDA SRS MHJ80W9LRB
Human Metabolome Database HMDB15126
Guide to Pharmacology 7252
KEGG C07356
PDB BJ6
PharmGKB PA450730
PubChem 4614
SureChEMBL SCHEMBL3286
ZINC ZINC000049643479
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