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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2347115
CHEMBL2347115
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H14N4O2

Additional synonyms for CHEMBL2347115 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@H]1Cc2c(cnn2Cc3ccccc3)N(O)C1=O
Standard InChI InChI=1S/C13H14N4O2/c14-10-6-11-12(17(19)13(10)18)7-15-16(11 ...
Download InChI
Standard InChI Key JSUNNGBBQVPPTM-JTQLQIEISA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2347115

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
258.3 258.1117 0.45 2 84.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.31 7.22 -1.74 -1.96 2 19 0.77

Structural Alerts

There are 2 structural alerts for CHEMBL2347115. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JSUNNGBBQVPPTM-JTQLQIEISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2347115



BindingDB 107747
PubChem 67963007
SureChEMBL SCHEMBL9912538

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