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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL536187
CHEMBL536187
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H29Cl2N5O2S

Additional synonyms for CHEMBL536187 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(c4ccc(Cl)cc4)c3s2) ...
Download SMILES
Standard InChI InChI=1S/C26H28ClN5O2S.ClH/c1-4-31(5-2)15-14-28-24(33)18-6-1 ...
Download InChI
Standard InChI Key DONFFQXCHUQPIC-UHFFFAOYSA-N

Sources

  • GSK Malaria Screening
  • St Jude Leishmania Screening

Alternate Forms of Compound in ChEMBL


CHEMBL536187

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
510.1 509.1652 4.86 9 107.5 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.82 9.09 3.03 1.18 4 35 0.34

Structural Alerts

There are 1 structural alerts for CHEMBL536187. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DONFFQXCHUQPIC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL536187



Mcule MCULE-2107596036
PubChem 16237780

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