CARPROFEN

Search structure
Trade Names:
Synonyms:
Status: Approved (1987)
Entry Type: Small molecule
Molecule Category: Parent
UNII: FFL0D546HO

Structure
InChI Key PUXBGTOOZJQSKH-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase-2 inhibitor DailyMed
Primary Target
COX-2
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 32000-78600 - - -
Enzyme Oxidoreductase
- 100-38000 - - -
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
- - - - 48
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 3000 - - -

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 53716-49-7
ChEBI 364453
ChEMBL CHEMBL1316
DrugBank DB00821
DrugCentral 518
EPA CompTox DTXSID1045871
FDA SRS FFL0D546HO
Human Metabolome Database HMDB0014959
Guide to Pharmacology 7141
KEGG C18364
PharmGKB PA164781361
PubChem 2581
SureChEMBL SCHEMBL3909
ZINC ZINC01869694
CONTENTS