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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL348975
CHEMBL348975
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H18N8O2

Additional synonyms for CHEMBL348975 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCn1cc2c(nc(NC(=O)Nc3ccc(C)cc3)n4nc(nc24)c5occc5)n1
Standard InChI InChI=1S/C20H18N8O2/c1-3-27-11-14-16(25-27)23-19(24-20(29)21 ...
Download InChI
Standard InChI Key VWSPWOIXVVRAKZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL348975

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
402.4 402.1553 3.71 4 115.17 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.52 1.38 4.63 2.99 5 30 0.47

Structural Alerts

There are no structural alerts for CHEMBL348975

Compound Cross References

ChemSpider ChemSpider:VWSPWOIXVVRAKZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL348975



BindingDB 50109445
Nikkaji J1.705.901G
PubChem 10938276
PubChem: Thomson Pharma 15990736
ZINC ZINC000013472338

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