TOLFENAMIC ACID

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Synonyms
Status
Molecule Category Free-form
ATC M01AG02
UNII 3G943U18KM
EPA CompTox DTXSID1045409

Structure

InChI Key YEZNLOUZAIOMLT-UHFFFAOYSA-N
Smiles Cc1c(Cl)cccc1Nc1ccccc1C(=O)O
InChI
InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12ClNO2
Molecular Weight 261.71
AlogP 4.09
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 49.33
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 880 - - -
Enzyme
- 880 - 8 -
Secreted protein
- - 150 - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- - - - 47
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 77.01-95.07
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 77.01-95.07
Homo sapiens
- 880 150 8 -
Mus musculus
- - - - 35.14-51.35
Rattus norvegicus
- - - - 24-24

Related Entries

Cross References

Resources Reference
ChEBI 32243
ChEMBL CHEMBL121626
DrugBank DB09216
DrugCentral 2698
FDA SRS 3G943U18KM
Human Metabolome Database HMDB0042043
Guide to Pharmacology 8769
PDB TLF
PharmGKB PA166049189
PubChem 610479
SureChEMBL SCHEMBL25190
ZINC ZINC000000002188
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