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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL278809
CHEMBL278809
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H15IN2S

Additional synonyms for CHEMBL278809 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNCc1ccccc1Sc2ccc(I)cc2N
Standard InChI InChI=1S/C14H15IN2S/c1-17-9-10-4-2-3-5-13(10)18-14-7-6-11(15 ...
Download InChI
Standard InChI Key CWUIGDTZNNNLBE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL278809

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
370.3 370.0001 3.74 4 38.05 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 2 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.32 3.5 1.58 2 18 0.64

Structural Alerts

There are 7 structural alerts for CHEMBL278809. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CWUIGDTZNNNLBE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL278809



BindingDB 50110780
Nikkaji J1.719.862I
PubChem 10451779
PubChem: Thomson Pharma 15473329
ZINC ZINC000013472756

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