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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL437926
CHEMBL437926
Compound Name TETRADIFON
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H6Cl4O2S

Additional synonyms for CHEMBL437926 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(cc1)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl
Standard InChI InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9 ...
Download InChI
Standard InChI Key MLGCXEBRWGEOQX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL437926

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
356.1 353.8843 5.13 2 34.14 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4 4 2 19 0.7

Structural Alerts

There are 2 structural alerts for CHEMBL437926. To view alerts please click here.

Compound Cross References

IRAC D - ENERGY METABOLISM
D12 - INHIBITORS OF MITOCHONDRIAL ATP SYNTHASE
D1212D - TETRADIFON
D1212D1 - TETRADIFON
ChemSpider ChemSpider:MLGCXEBRWGEOQX-UHFFFAOYSA-N
PubChem SID: 144209594 SID: 144213083 SID: 26757090 SID: 29216426

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL437926



ACToR 116-29-0
ChEBI 39330
eMolecules 510259
EPA CompTox Dashboard DTXSID7021316
FDA SRS TIP8EA8VTS
IBM Patent System 962C88A520A611C6F212E0C2013BF554
KEGG Ligand C18451
MolPort MolPort-003-933-500
Nikkaji J2.472D
NMRShiftDB 20209267
PubChem 8305
PubChem: Thomson Pharma 14803192
SureChEMBL SCHEMBL27902
ZINC ZINC000002041031

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