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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104691
CHEMBL2104691
Compound Name TETRIPROFEN
ChEMBL Synonyms TETRIPROFEN | 47-210 [AS SODIUM]
Max Phase 0
Trade Names
Molecular Formula C15H18O2

Additional synonyms for CHEMBL2104691 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C(=O)O)c1ccc(cc1)C2=CCCCC2
Standard InChI InChI=1S/C15H18O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2- ...
Download InChI
Standard InChI Key CVBPQTZKZQWEFX-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2104691

Molecule Features

CHEMBL2104691 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov TETRIPROFEN
The Cochrane Collaboration TETRIPROFEN

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2104691. 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
CHEMBL4383 Gastric inhibitory polypeptide receptor Homo sapiens 0.999
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.925
CHEMBL3399910 Probable G-protein coupled receptor 88 Homo sapiens 0.812
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.720

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4383 Gastric inhibitory polypeptide receptor Homo sapiens 1.000
CHEMBL3399910 Probable G-protein coupled receptor 88 Homo sapiens 0.999
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.769
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.537

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
230.3 230.1307 3.83 3 37.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.39 - 3.85 .91 1 17 0.86

Structural Alerts

There are no structural alerts for CHEMBL2104691

Compound Cross References

ChemSpider ChemSpider:CVBPQTZKZQWEFX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104691



ACToR 28168-10-7
IBM Patent System 9C759C101E79EDEA7F08B6BF9816DCE4
Nikkaji J17.339H
PubChem 163312
PubChem: Thomson Pharma 15267401
SureChEMBL SCHEMBL2110518

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