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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
EPA CompTox Dashboard DTXSID70878516
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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