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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL21357
CHEMBL21357
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H11ClN4

Additional synonyms for CHEMBL21357 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(N)nc(N)c1c2ccc(Cl)cc2
Standard InChI InChI=1S/C11H11ClN4/c1-6-9(10(13)16-11(14)15-6)7-2-4-8(12)5- ...
Download InChI
Standard InChI Key SNBBQZGVKQEBQT-UHFFFAOYSA-N

Sources

  • GSK Malaria Screening
  • Scientific Literature
  • St Jude Leishmania Screening

Alternate Forms of Compound in ChEMBL


CHEMBL21357

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
234.7 234.0672 2.27 1 77.82 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.18 2.24 2.03 2 16 0.79

Structural Alerts

There are 1 structural alerts for CHEMBL21357. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SNBBQZGVKQEBQT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL21357



ACToR 3275-44-3
BindingDB 18775
Nikkaji J1.719.735E
PubChem 134531
PubChem: Thomson Pharma 15019418
SureChEMBL SCHEMBL11593238
ZINC ZINC000013282284

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