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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2094472
CHEMBL2094472
Compound Name
ChEMBL Synonyms DNDI1417134
Max Phase 0
Trade Names
Molecular Formula C14H14N4O3

Additional synonyms for CHEMBL2094472 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccccc1c2nnnn2C3CC(=O)C4OCC3O4
Standard InChI InChI=1S/C14H14N4O3/c1-8-4-2-3-5-9(8)13-15-16-17-18(13)10-6- ...
Download InChI
Standard InChI Key LEMGOYJNKDIXDH-UHFFFAOYSA-N

Sources

  • Drugs for Neglected Diseases Initiative (DNDi)

Alternate Forms of Compound in ChEMBL


CHEMBL2094472

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
286.3 286.1066 0.9 2 79.13 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .34 2.36 2.36 2 21 0.82

Structural Alerts

There are 2 structural alerts for CHEMBL2094472. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LEMGOYJNKDIXDH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2094472



eMolecules 6786624
Mcule MCULE-2520315255
MolPort MolPort-004-954-838
PubChem 3923781
PubChem: Thomson Pharma 53779375
SureChEMBL SCHEMBL14346295

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