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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL547275
CHEMBL547275
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H15N5OS

Additional synonyms for CHEMBL547275 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ncnc2cc(sc12)c3cccc(NC(=O)Nc4ccccc4)c3
Standard InChI InChI=1S/C19H15N5OS/c20-18-17-15(21-11-22-18)10-16(26-17)12- ...
Download InChI
Standard InChI Key XVURXSNXKLZHKP-UHFFFAOYSA-N

Sources

  • GSK Malaria Screening
  • St Jude Leishmania Screening

Alternate Forms of Compound in ChEMBL


CHEMBL547275

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
361.4 361.0997 3.64 3 121.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.3 2.55 2.54 4 26 0.52

Structural Alerts

There are 1 structural alerts for CHEMBL547275. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XVURXSNXKLZHKP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL547275



PubChem 44528605
ZINC ZINC000045230981

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