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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL25467
CHEMBL25467
Compound Name
ChEMBL Synonyms SK-104856 | SK&F-104856
Max Phase 0
Trade Names
Molecular Formula C14H14ClNS

Additional synonyms for CHEMBL25467 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23
Standard InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17- ...
Download InChI
Standard InChI Key WKXSXFYQPCWZOS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL25467

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
263.8 263.0535 4.19 1 3.24 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.71 3.27 2.79 2 17 0.75

Structural Alerts

There are 2 structural alerts for CHEMBL25467. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WKXSXFYQPCWZOS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL25467



ACToR 136427-58-2
BindingDB 50030614
EPA CompTox Dashboard DTXSID60159785
IBM Patent System 982B6984481CF58136540F9650A05DEC
Nikkaji J467.351D
PubChem 126225
PubChem: Thomson Pharma 14848125
SureChEMBL SCHEMBL9376352

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