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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL26319
CHEMBL26319
Compound Name ARILDONE
ChEMBL Synonyms WIN 38020 | ARILDONE
Max Phase 0
Trade Names
Molecular Formula C20H29ClO4

Additional synonyms for CHEMBL26319 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)C(CCCCCCOc1ccc(OC)cc1Cl)C(=O)CC
Standard InChI InChI=1S/C20H29ClO4/c1-4-18(22)16(19(23)5-2)10-8-6-7-9-13-25 ...
Download InChI
Standard InChI Key DIXRMZGIJNJUGL-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL26319

Molecule Features

CHEMBL26319 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N 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 ARILDONE
The Cochrane Collaboration ARILDONE

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 CHEMBL26319. 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
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.999
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.998
CHEMBL3911 Leukotriene B4 receptor 1 Homo sapiens 0.991
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 0.962
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.896
CHEMBL203 Epidermal growth factor receptor erbB1 Homo sapiens 0.502



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.999
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.999
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 0.996
CHEMBL3911 Leukotriene B4 receptor 1 Homo sapiens 0.909
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.909
CHEMBL203 Epidermal growth factor receptor erbB1 Homo sapiens 0.576
CHEMBL3067 Metabotropic glutamate receptor 3 Rattus norvegicus 0.542
CHEMBL1947 Thyroid hormone receptor beta-1 Homo sapiens 0.454
CHEMBL3474 Phospholipase A2 group IIA Homo sapiens 0.436

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
368.9 368.1754 5.25 13 52.6 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.39 - 5.69 5.69 1 25 0.35

Structural Alerts

There are 9 structural alerts for CHEMBL26319. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DIXRMZGIJNJUGL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL26319



ACToR 56219-57-9
EPA CompTox Dashboard DTXSID30204771
FDA SRS 69MBN7JF59
IBM Patent System CAC6B74BC1E3A4110114393F70C86E58
Nikkaji J11.137F
PubChem 41782
PubChem: Drugs of the Future 12013004
PubChem: Thomson Pharma 15497831
SureChEMBL SCHEMBL146967
ZINC ZINC000004211998

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