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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL325436
CHEMBL325436
Compound Name DICHLOROTETRAFLUOROETHANE
ChEMBL Synonyms DICHLOROTETRAFLUOROETHANE | CRYOFLUORANE
Max Phase 0
Trade Names
Molecular Formula C2Cl2F4

Additional synonyms for CHEMBL325436 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(Cl)C(F)(F)Cl
Standard InChI InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8
Standard InChI Key DDMOUSALMHHKOS-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL325436

Molecule Features

CHEMBL325436 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 DICHLOROTETRAFLUOROETHANE
The Cochrane Collaboration DICHLOROTETRAFLUOROETHANE

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 CHEMBL325436. 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
CHEMBL1862 Tyrosine-protein kinase ABL Homo sapiens 0.324
CHEMBL2567 Protein kinase C alpha Mus musculus 0.265

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1862 Tyrosine-protein kinase ABL Homo sapiens 0.314

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
170.9 169.9313 2.65 1 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.8 2.8 0 8 0.42

Structural Alerts

There are 6 structural alerts for CHEMBL325436. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DDMOUSALMHHKOS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL325436



ACToR 76-14-2
eMolecules 495229
EPA CompTox Dashboard DTXSID8026434
FDA SRS 6B5VVT93AR
IBM Patent System 6AF3585228C3FAC342674E6890A1A502
Mcule MCULE-2498459210
MolPort MolPort-001-790-009
Nikkaji J4.169F
NMRShiftDB 20242388
PubChem 6429
PubChem: Thomson Pharma 15243431
SureChEMBL SCHEMBL865
ZINC ZINC000008214542

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