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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15870
CHEMBL15870
Compound Name INDOPROFEN
ChEMBL Synonyms INDOPROFEN | K 4277
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names
Molecular Formula C17H15NO3

Additional synonyms for CHEMBL15870 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O
Standard InChI InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13- ...
Download InChI
Standard InChI Key RJMIEHBSYVWVIN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification
  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL15870

Molecule Features

CHEMBL15870 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Withdrawn

Withdrawal Information

Year 1983
Country United Kingdom; Spain; Germany
Reason Animal Carcinogenicity (rodent); Gastrointestinal Toxicity

Clinical Data

ClinicalTrials.gov INDOPROFEN
The Cochrane Collaboration INDOPROFEN

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 CHEMBL15870. 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.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.982
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.260

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2949 Cyclooxygenase-1 Ovis aries 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
281.3 281.1052 2.7 3 57.61 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.39 .35 2.82 -.06 2 21 0.94

Structural Alerts

There are no structural alerts for CHEMBL15870

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M01 - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AE - Propionic acid derivatives
M01AE10 - indoprofen

ChemSpider ChemSpider:RJMIEHBSYVWVIN-UHFFFAOYSA-N
PubChem SID: 11532964 SID: 144204869 SID: 26748086
Wikipedia Indoprofen

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15870



ACToR 31842-01-0 53022-60-9
BindingDB 50233673
ChEBI 76162
DrugBank DB08951
DrugCentral 1442
eMolecules 539627
EPA CompTox Dashboard DTXSID5045831
IBM Patent System B424B5B115BF7309989C9CC50625043D
LINCS LSM-1564
Mcule MCULE-8196316614
MolPort MolPort-001-791-283
Nikkaji J19.918D
PubChem 3718
PubChem: Drugs of the Future 22395903
PubChem: Thomson Pharma 15442645
SureChEMBL SCHEMBL25137

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