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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2094446
CHEMBL2094446
Compound Name
ChEMBL Synonyms DNDI1417096
Max Phase 0
Trade Names
Molecular Formula C16H14N4O

Additional synonyms for CHEMBL2094446 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nn2c3CCCC(=O)c3nnc2c1c4ccccc4
Standard InChI InChI=1S/C16H14N4O/c1-10-14(11-6-3-2-4-7-11)16-18-17-15-12(2 ...
Download InChI
Standard InChI Key BMCGHWXMUAFKLU-UHFFFAOYSA-N

Sources

  • Drugs for Neglected Diseases Initiative (DNDi)

Alternate Forms of Compound in ChEMBL


CHEMBL2094446

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
278.3 278.1168 2.62 1 60.15 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .65 - 3 21 0.69

Structural Alerts

There are 1 structural alerts for CHEMBL2094446. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BMCGHWXMUAFKLU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2094446



eMolecules 4260734
Mcule MCULE-8560644260
MolPort MolPort-002-677-624
PubChem 623966
ZINC ZINC000009225449

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