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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL239931
CHEMBL239931
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H12N4

Additional synonyms for CHEMBL239931 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N#Cc1cncc(c1)N2C[C@@H]3CNC[C@H]23
Standard InChI InChI=1S/C11H12N4/c12-2-8-1-10(5-13-3-8)15-7-9-4-14-6-11(9)1 ...
Download InChI
Standard InChI Key GPXAWLDGWSBLKM-ONGXEEELSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL239931

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
200.2 200.1062 0.05 1 51.95 BASE


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
- 10.31 .22 -2.15 1 15 0.7

Structural Alerts

There are no structural alerts for CHEMBL239931

Compound Cross References

ChemSpider ChemSpider:GPXAWLDGWSBLKM-ONGXEEELSA-N
Wikipedia A-366,833

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL239931



BindingDB 50224460
IBM Patent System BF4A062F9767ADC3C14C34ED2E11F750
PubChem 9834234
PubChem: Thomson Pharma 14794273
SureChEMBL SCHEMBL649244

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