ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Structural Alerts

There are no structural alerts for CHEMBL239931

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

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
spacer