INDOPROFEN

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Synonyms
Status
Molecule Category Free-form
ATC M01AE10
UNII CPE46ZU14N
EPA CompTox DTXSID5045831

Structure

InChI Key RJMIEHBSYVWVIN-UHFFFAOYSA-N
Smiles CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1
InChI
InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H15NO3
Molecular Weight 281.31
AlogP 3.04
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 57.61
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase inhibitor INHIBITOR PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CXC chemokine receptor
- - - - 56
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 96.18-97.2
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 96.18-97.2
Homo sapiens
- - - - 40-56

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

Cross References

Resources Reference
ChEBI 76162
ChEMBL CHEMBL15870
DrugBank DB08951
DrugCentral 1442
FDA SRS CPE46ZU14N
PubChem 3718
SureChEMBL SCHEMBL25137
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