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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL536375
CHEMBL536375
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H29N5O2S

Additional synonyms for CHEMBL536375 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2c3cccs3)c4ccccc4)cc1
Standard InChI InChI=1S/C27H29N5O2S/c1-3-31(4-2)17-16-28-26(33)20-12-14-21( ...
Download InChI
Standard InChI Key CLEJNLVRUMTEIS-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL536375

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
487.6 487.2042 4.79 10 107.5 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.98 9.09 4.06 2.18 4 35 0.34

Structural Alerts

There are 1 structural alerts for CHEMBL536375. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CLEJNLVRUMTEIS-UHFFFAOYSA-N
PubChem SID: 24829034

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL536375



BindingDB 51855
eMolecules 31310689
Mcule MCULE-4208745237
MolPort MolPort-009-025-026
PubChem 2329736
ZINC ZINC000003209293

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