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Compound Detail

CHEMBL361271

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CCNC1=NS(=O)(=O)c2cc(Cl)c(Cl)cc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL361271
Phase Preclinical
Structure Type MOL
InChI Key AENMLOKEZIDYLM-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.2
MW (Da)
2.07
ALogP
4
HBA
2
HBD
70.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H9Cl2N3O2S
MW 294.16
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.23

Activity Summary

EC50 1 meas. best 6.0
IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 IC50 6.6 6.6 250.0 1
Rattus norvegicus
CHEMBL376
 EC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 250.0 nM 6.6 Concentration required to inhibit insulin release in rat pancreatic islets by 50... 16033278
Rattus norvegicus EC50 = 1000.0 nM 6.0 Concentration required to relax KCl induced rat aorta ring contractions by 50% u... 16033278

Literature References

PubMed DOI Target Context # Activities
16033278 10.1021/jm0580050 Rattus norvegicus 6

Data from ChEMBL 36 via Core Engine