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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1091268
CHEMBL1091268
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H17N7O

Additional synonyms for CHEMBL1091268 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1cc2c(nc(NC(=O)Cc3ccccc3)n4nc(nc24)c5ccccc5)n1
Standard InChI InChI=1S/C21H17N7O/c1-27-13-16-19(25-27)24-21(22-17(29)12-14 ...
Download InChI
Standard InChI Key MTMOVZKSTQOGHY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1091268

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
383.4 383.1495 2.86 4 90 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.76 1.01 4.39 4.3 5 29 0.52

Structural Alerts

There are no structural alerts for CHEMBL1091268

Compound Cross References

ChemSpider ChemSpider:MTMOVZKSTQOGHY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1091268



BindingDB 50315643
PubChem 46206467
PubChem: Thomson Pharma 96060680
ZINC ZINC000049112423

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