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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL298936
CHEMBL298936
Compound Name
ChEMBL Synonyms AGN-193080
Max Phase 0
Trade Names
Molecular Formula C12H16N4O

Additional synonyms for CHEMBL298936 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(NC2=NCCN2)ccc3OCCNc13
Standard InChI InChI=1S/C12H16N4O/c1-8-9(16-12-14-4-5-15-12)2-3-10-11(8)13- ...
Download InChI
Standard InChI Key OSJZLDGTMVBIRV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL298936

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
232.3 232.1324 1.17 1 57.68 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.17 1.19 -.47 1 17 0.68

Structural Alerts

There are no structural alerts for CHEMBL298936

Compound Cross References

ChemSpider ChemSpider:OSJZLDGTMVBIRV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL298936



BindingDB 50052882
IBM Patent System 84A99AF8306F74B427B95CF39DB2FCC4
Nikkaji J775.069B
PubChem 9837551
PubChem: Thomson Pharma 15121693 14798203
SureChEMBL SCHEMBL8348700
ZINC ZINC000000006307

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