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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2424679
CHEMBL2424679
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14BrN5OS2

Additional synonyms for CHEMBL2424679 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(Br)cc1c2nc(CSc3nc(N)cc(N)n3)cs2
Standard InChI InChI=1S/C15H14BrN5OS2/c1-22-11-3-2-8(16)4-10(11)14-19-9(6-2 ...
Download InChI
Standard InChI Key IKCBJVKUSXOBCG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2424679

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
424.3 422.9823 3.61 5 153.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.92 3.69 3.69 3 24 0.47

Structural Alerts

There are 3 structural alerts for CHEMBL2424679. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IKCBJVKUSXOBCG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2424679



BindingDB 50440165
PubChem 16571293
SureChEMBL SCHEMBL12694453

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