CARPROFEN

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII FFL0D546HO
EPA CompTox DTXSID1045871

Structure

InChI Key PUXBGTOOZJQSKH-UHFFFAOYSA-N
Smiles CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChI
InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12ClNO2
Molecular Weight 273.72
AlogP 4.16
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 53.09
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase-2 inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 100-102 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CXC chemokine receptor
- - - - 5
Secreted protein
- - 580 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 47.72-77.78
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- 102 - - -
Cricetulus griseus
- - - - 47.72-77.78
Homo sapiens
- 100-102 580 - 5-5

Target Conservation

Protein: Cyclooxygenase-2
Description: Prostaglandin G/H synthase 2
Organism : Homo sapiens
P35354 ENSG00000073756

Cross References

Resources Reference
ChEBI 364453
ChEMBL CHEMBL1316
DrugBank DB00821
DrugCentral 518
FDA SRS FFL0D546HO
Human Metabolome Database HMDB0014959
Guide to Pharmacology 7141
KEGG C18364
PharmGKB PA164781361
PubChem 2581
SureChEMBL SCHEMBL3909
ZINC ZINC01869694
CONTENTS