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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2165801
CHEMBL2165801
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H15ClN4O

Additional synonyms for CHEMBL2165801 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(c2ccccc2)c3C(=O)c4ccc(Cc5cnccc5Cl)cc4c3n1
Standard InChI InChI=1S/C23H15ClN4O/c24-18-8-9-26-12-15(18)10-13-6-7-16-17( ...
Download InChI
Standard InChI Key BLTKTCQOSSTUDS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2165801

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
398.9 398.0934 4.58 3 81.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.15 4.28 4.28 4 29 0.48

Structural Alerts

There are 3 structural alerts for CHEMBL2165801. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BLTKTCQOSSTUDS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2165801



BindingDB 50394718
PubChem 56954252
PubChem: Thomson Pharma 135666466
ZINC ZINC000095552079

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