ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL25146
CHEMBL25146
Compound Name AMFENAC
ChEMBL Synonyms AMFENAC SODIUM | AHR-5850D | AMFENAC
Max Phase 0
Trade Names
Molecular Formula C15H13NO3

Additional synonyms for CHEMBL25146 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1c(CC(=O)O)cccc1C(=O)c2ccccc2
Standard InChI InChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10 ...
Download InChI
Standard InChI Key SOYCMDCMZDHQFP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL25146

Molecule Features

CHEMBL25146 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov AMFENAC
The Cochrane Collaboration AMFENAC

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL25146. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.375

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
255.3 255.0895 2.13 4 80.39 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.09 - 1.14 -1.9 2 19 0.65

Structural Alerts

There are 4 structural alerts for CHEMBL25146. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SOYCMDCMZDHQFP-UHFFFAOYSA-N
Wikipedia Amfenac

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL25146



ACToR 51579-82-9
ChEBI 75915
eMolecules 1985453
EPA CompTox Dashboard DTXSID90199533
FDA SRS 28O5C1J38A
Guide to Pharmacology 7565
IBM Patent System 3737AD41AADCECAAF70A0020FFD5703A
Nikkaji J11.225I
PharmGKB PA166049186
PubChem 2136
PubChem: Thomson Pharma 14774472
SureChEMBL SCHEMBL24249
ZINC ZINC000000000909

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/SOYCMDCMZDHQFP-UHFFFAOYSA-N spacer
spacer