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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1490840
CHEMBL1490840
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H12BrN5

Additional synonyms for CHEMBL1490840 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Brc1ccc(cc1)c2nnc3ccc(Nc4ccccc4)nn23
Standard InChI InChI=1S/C17H12BrN5/c18-13-8-6-12(7-9-13)17-21-20-16-11-10-1 ...
Download InChI
Standard InChI Key QZDKHKKCNJUAPJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1490840

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
366.2 365.0276 4.3 3 55.11 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.66 5.32 5.32 4 23 0.59

Structural Alerts

There are 2 structural alerts for CHEMBL1490840. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QZDKHKKCNJUAPJ-UHFFFAOYSA-N
PubChem SID: 17433549

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1490840



MolPort MolPort-002-200-065
PubChem 1336314
ZINC ZINC000001170323

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