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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL513104
CHEMBL513104
Compound Name
ChEMBL Synonyms GNF-Pf-1694
Max Phase 0
Trade Names
Molecular Formula C19H23NO3

Additional synonyms for CHEMBL513104 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)NCC(O)COc1cccc2oc3ccccc3c12
Standard InChI InChI=1S/C19H23NO3/c1-19(2,3)20-11-13(21)12-22-16-9-6-10-17- ...
Download InChI
Standard InChI Key HGDYQUMVUUMEFM-UHFFFAOYSA-N

Sources

  • Novartis Malaria Screening
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL513104

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
313.4 313.1678 3.34 6 54.63 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.86 9.92 4.23 1.85 3 23 0.73

Structural Alerts

There are 1 structural alerts for CHEMBL513104. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HGDYQUMVUUMEFM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL513104



BindingDB 50274012
PubChem 23968266

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