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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2178799
CHEMBL2178799
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H12Cl2N6O

Additional synonyms for CHEMBL2178799 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)c4cc(Cl)ccc4Cl
Standard InChI InChI=1S/C17H12Cl2N6O/c1-24-9-14(15(23-24)11-7-10(18)3-4-13( ...
Download InChI
Standard InChI Key JDIZUWGLJSYCHD-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2178799

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
387.2 386.045 3.69 3 77.11 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.52 - 3.95 3.92 4 26 0.58

Structural Alerts

There are no structural alerts for CHEMBL2178799

Compound Cross References

ChemSpider ChemSpider:JDIZUWGLJSYCHD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2178799



BindingDB 50399021
PubChem 70496595
PubChem: Thomson Pharma 163504245
SureChEMBL SCHEMBL11026120
ZINC ZINC000095579181

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