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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL535225
CHEMBL535225
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H14ClN5O3S

Additional synonyms for CHEMBL535225 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(=O)n1cnc(n1)S(=O)(=O)N(C)c2ccc(Cl)cc2
Standard InChI InChI=1S/C12H14ClN5O3S/c1-16(2)12(19)18-8-14-11(15-18)22(20, ...
Download InChI
Standard InChI Key UHTDBMSUJGJAMB-UHFFFAOYSA-N

Sources

  • GSK Malaria Screening
  • St Jude Leishmania Screening

Alternate Forms of Compound in ChEMBL


CHEMBL535225

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
343.8 343.0506 1.66 3 96.77 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 8 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.48 1.48 2 22 0.84

Structural Alerts

There are 1 structural alerts for CHEMBL535225. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UHTDBMSUJGJAMB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL535225



IBM Patent System 2126F75DCB3D2CB9532F4D651B140F31
PubChem 17838750
SureChEMBL SCHEMBL5376525
ZINC ZINC000045210081

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