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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL406316
CHEMBL406316
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14N4

Additional synonyms for CHEMBL406316 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1Cc2c(cccc2c3cn[nH]c3)C1c4ncc[nH]4
Standard InChI InChI=1S/C15H14N4/c1-2-11(10-8-18-19-9-10)13-4-5-14(12(13)3- ...
Download InChI
Standard InChI Key ZXQIPWRUBBPGML-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL406316

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
250.3 250.1218 2.88 2 57.36 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.87 7.46 2.01 1.5 3 19 0.73

Structural Alerts

There are no structural alerts for CHEMBL406316

Compound Cross References

ChemSpider ChemSpider:ZXQIPWRUBBPGML-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL406316



BindingDB 50377388
PubChem 44449730

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