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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL534232
CHEMBL534232
Compound Name BRL-15,572
ChEMBL Synonyms BRL-15572
Max Phase 0
Trade Names
Molecular Formula C25H27ClN2O

Additional synonyms for CHEMBL534232 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(CN1CCN(CC1)c2cccc(Cl)c2)C(c3ccccc3)c4ccccc4
Standard InChI InChI=1S/C25H27ClN2O/c26-22-12-7-13-23(18-22)28-16-14-27(15- ...
Download InChI
Standard InChI Key QJHCTHPYUOXOGM-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL534232

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
407 406.1812 5.36 6 26.71 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.14 4.32 4.24 3 29 0.6

Structural Alerts

There are no structural alerts for CHEMBL534232

Compound Cross References

ChemSpider ChemSpider:QJHCTHPYUOXOGM-UHFFFAOYSA-N
PubChem SID: 124879460 SID: 90340857
Wikipedia BRL-15,572

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL534232



ACToR 734517-40-9
BindingDB 85165
ChEBI 64060
eMolecules 31240653
EPA CompTox Dashboard DTXSID4043983
Guide to Pharmacology 10
LINCS LSM-1618
Nikkaji J878.866I
PubChem 3654103
SureChEMBL SCHEMBL7741355

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