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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2094348
CHEMBL2094348
Compound Name
ChEMBL Synonyms DNDI1416963
Max Phase 0
Trade Names
Molecular Formula C12H18N4O

Additional synonyms for CHEMBL2094348 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCOc1ccccc1\C=N\NC(=N)N
Standard InChI InChI=1S/C12H18N4O/c1-2-3-8-17-11-7-5-4-6-10(11)9-15-16-12(1 ...
Download InChI
Standard InChI Key JLZAUMBGZNHJGJ-OQLLNIDSSA-N

Sources

  • Drugs for Neglected Diseases Initiative (DNDi)

Alternate Forms of Compound in ChEMBL


CHEMBL2094348

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
234.3 234.1481 1.68 6 83.49 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.06 2.04 1.87 1 17 0.3

Structural Alerts

There are 6 structural alerts for CHEMBL2094348. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JLZAUMBGZNHJGJ-OQLLNIDSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2094348



eMolecules 26190617
Mcule MCULE-2737656116
MolPort MolPort-001-600-037
PubChem 9623394
ZINC ZINC000004677177

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