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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL588934
CHEMBL588934
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H26N2O2

Additional synonyms for CHEMBL588934 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34
Standard InChI InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)1 ...
Download InChI
Standard InChI Key LJOQGZACKSYWCH-WZBLMQSHSA-N

Sources

  • GSK Malaria Screening
  • Scientific Literature
  • St Jude Leishmania Screening

Alternate Forms of Compound in ChEMBL


CHEMBL588934

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
326.4 326.1994 3.4 4 45.59 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.8 9.84 3.24 .9 2 24 0.94

Structural Alerts

There are no structural alerts for CHEMBL588934

Compound Cross References

ChemSpider ChemSpider:LJOQGZACKSYWCH-WZBLMQSHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL588934



ChEBI 135994
DrugCentral 4570
eMolecules 25721979
FDA SRS 31J3Q51T6L
IBM Patent System 5632CBFEA8E2D3613F9305FDC5B33DFD
Metabolights MTBLC135994
MolPort MolPort-001-742-602
PubChem 121515
PubChem: Thomson Pharma 15372048
SureChEMBL SCHEMBL109600
ZINC ZINC000000389626

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