Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL134253

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCCCNC1=NS(=O)(=O)c2sc(Cl)cc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134253
Phase Preclinical
Structure Type MOL
InChI Key OECJBGOUFZZDJF-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

349.9
MW (Da)
3.82
ALogP
5
HBA
2
HBD
70.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H20ClN3O2S2
MW 349.91
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.83

Activity Summary

EC50 2 meas. best 6.3
IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.3 6.3 500.0 1
Beta-TC6
CHEMBL614357
 IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 500.0 nM 6.3 Changes in potassium fluxes assessed in the glucose responsive insulin-producing... 12213059
Beta-TC6 IC50 = 1500.0 nM 5.82 Ability to inhibit the release of insulin from the mouse beta-TC6 cell line 12213059

Literature References

PubMed DOI Target Context # Activities
12213059 10.1021/jm0208121 Beta-TC6 2
12213059 10.1021/jm0208121 Unchecked 1
12213059 10.1021/jm0208121 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine