ETODOLAC

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC M01AB08
UNII 2M36281008
EPA CompTox DTXSID9020615

Structure

InChI Key NNYBQONXHNTVIJ-UHFFFAOYSA-N
Smiles CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3
InChI
InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H21NO3
Molecular Weight 287.36
AlogP 3.38
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 62.32
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 21.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase-2 inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 9
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - - -1.4-13
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 68.27-103.62
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 68.27-103.62
Homo sapiens
- - - - -1.4-13
Mus musculus
- - - - 40
Rattus norvegicus
- 25 - - 11.2-65

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 4909
ChEMBL CHEMBL622
DrugBank DB00749
DrugCentral 1103
FDA SRS 2M36281008
Human Metabolome Database HMDB0014887
Guide to Pharmacology 7185
KEGG C06991
PharmGKB PA449550
PubChem 3308
SureChEMBL SCHEMBL3903
ZINC ZINC00057313
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