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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2097958
CHEMBL2097958
Compound Name
ChEMBL Synonyms GSK1829820A
Max Phase 0
Trade Names
Molecular Formula C15H15N3OS

Additional synonyms for CHEMBL2097958 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc2nc(C)c(C(=O)NCc3cccs3)n2c1
Standard InChI InChI=1S/C15H15N3OS/c1-10-5-6-13-17-11(2)14(18(13)9-10)15(19 ...
Download InChI
Standard InChI Key LYDYEINGBDQLKU-UHFFFAOYSA-N

Sources

  • GSK Tuberculosis Screening
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2097958

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
285.4 285.0936 2.94 3 46.4 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.59 5.39 1.48 1.47 3 20 0.8

Structural Alerts

There are no structural alerts for CHEMBL2097958

Compound Cross References

ChemSpider ChemSpider:LYDYEINGBDQLKU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2097958



PubChem 70693465
ZINC ZINC000059796627

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