NAPROXEN

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC G02CC02 M01AE02 M02AA12
UNII 57Y76R9ATQ
EPA CompTox DTXSID4040686

Structure

InChI Key CMWTZPSULFXXJA-VIFPVBQESA-N
Smiles COc1ccc2cc([C@H](C)C(=O)O)ccc2c1
InChI
InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H14O3
Molecular Weight 230.26
AlogP 3.04
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 46.53
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase inhibitor INHIBITOR PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 64
Enzyme Oxidoreductase
- 60-900 - - 30-88
Enzyme Protease Aspartic protease Aspartic protease AD clan Aspartic protease A22A subfamily Aspartic protease A22A regulatory subfamily
- - - - 3
Enzyme
- 60-900 - - 30-88
Ion channel Other ion channel Miscellaneous ion channel Presenilin ER Ca2+ leak channel family
- - - - 3
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CXC chemokine receptor
- - - - 35
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 103.46-114.77
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - - 30
Cavia porcellus
- - - - 60
Cochliobolus lunatus
- - - - 9
Cricetulus griseus
- - - - 103.46-114.77
Homo sapiens
- 180-900 - - 3-88
Mus musculus
- 200-330 - - 18-66.9
Oryctolagus cuniculus
- - - - 55
Ovis aries
- 61-180 - - 46-72
Rattus norvegicus
- - - - 9.4-85.02
influenza A virus
- - - 250 -

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

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Czech Republic
Germany
Hungary
India
Romania
Serbia
Slovakia
Slovenia
South Africa
Sweden

Cross References

Resources Reference
ChEBI 7476
ChEMBL CHEMBL154
DrugBank DB00788
DrugCentral 1883
FDA SRS 57Y76R9ATQ
Human Metabolome Database HMDB0001923
Guide to Pharmacology 5230
PDB NPS
PubChem 156391
SureChEMBL SCHEMBL3046
ZINC ZINC000000105216
CONTENTS