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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL448908
CHEMBL448908
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14N4

Additional synonyms for CHEMBL448908 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1[C@H](Cn2ccnc12)c3ccccc3n4cccn4
Standard InChI InChI=1S/C15H14N4/c1-2-5-14(19-8-3-6-17-19)13(4-1)12-10-15-1 ...
Download InChI
Standard InChI Key IPPGENORPYHMGX-GFCCVEGCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL448908

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 2.41 2 35.64 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.4 1.61 1.32 3 19 0.7

Structural Alerts

There are no structural alerts for CHEMBL448908

Compound Cross References

ChemSpider ChemSpider:IPPGENORPYHMGX-GFCCVEGCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL448908



BindingDB 50258589
PubChem 44574103
ZINC ZINC000040379317

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