ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL114062
CHEMBL114062
Compound Name TETRACHLOROETHYLENE
ChEMBL Synonyms Tetrachloroethylene
Max Phase 0
Trade Names
Molecular Formula C2Cl4

Additional synonyms for CHEMBL114062 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC(=C(Cl)Cl)Cl
Standard InChI InChI=1S/C2Cl4/c3-1(4)2(5)6
Standard InChI Key CYTYCFOTNPOANT-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL114062

Molecule Features

CHEMBL114062 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 TETRACHLOROETHYLENE
The Cochrane Collaboration TETRACHLOROETHYLENE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
165.8 163.8754 3.07 0 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
- - 3.07 3.07 0 6 0.52

Structural Alerts

There are 2 structural alerts for CHEMBL114062. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CYTYCFOTNPOANT-UHFFFAOYSA-N
PubChem SID: 144208394 SID: 17388702 SID: 17389721
Wikipedia Tetrachloroethylene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL114062



ACToR 127-18-4
Brenda 3521
ChEBI 17300
ChemicalBook CB7325193
DrugCentral 3587
eMolecules 475286
EPA CompTox Dashboard DTXSID2021319
FDA SRS TJ904HH8SN
Human Metabolome Database HMDB0041980
IBM Patent System F6B072EE4D776D4F69C8AB735531CC9D
KEGG Ligand C06789
LINCS LSM-37168
Mcule MCULE-3770837074
MolPort MolPort-003-925-247
Nikkaji J3.261A
NMRShiftDB 10015870
PubChem 31373
PubChem: Thomson Pharma 15437614
Rhea 17300
SureChEMBL SCHEMBL23022
ZINC ZINC000008214691

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