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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2094434
CHEMBL2094434
Compound Name
ChEMBL Synonyms DNDI1417077
Max Phase 0
Trade Names
Molecular Formula C18H14N2O

Additional synonyms for CHEMBL2094434 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(Nc1c2ccccc2nc3ccccc13)c4occc4
Standard InChI InChI=1S/C18H14N2O/c1-3-9-16-14(7-1)18(19-12-13-6-5-11-21-13 ...
Download InChI
Standard InChI Key OQMCXJMYARKPMZ-UHFFFAOYSA-N

Sources

  • Drugs for Neglected Diseases Initiative (DNDi)

Alternate Forms of Compound in ChEMBL


CHEMBL2094434

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
274.3 274.1106 4.59 3 38.06 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.57 3.11 1.93 4 21 0.56

Structural Alerts

There are 5 structural alerts for CHEMBL2094434. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OQMCXJMYARKPMZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2094434



eMolecules 546309
Mcule MCULE-8902066437
MolPort MolPort-000-767-726
PubChem 3119936
ZINC ZINC000004340250

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