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Compound Detail

CHEMBL210673

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CC(C)NC1=NS(=O)(=O)c2cc(Cl)sc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL210673
Phase Preclinical
Structure Type MOL
InChI Key PVTKNYXGSWZOME-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

279.8
MW (Da)
1.87
ALogP
5
HBA
2
HBD
70.6
PSA (Ų)
0.82
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 C8H10ClN3O2S2
MW 279.77
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.69

Activity Summary

EC50 2 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-TC3
CHEMBL614063
 EC50 5.3 5.3 5000.0 1
Beta-TC6
CHEMBL614357
 EC50 4.7 4.7 19820.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-TC3 EC50 = 5000.0 nM 5.3 Repolarization of beta-TC3 cells 16821773
Beta-TC6 EC50 = 19820.0 nM 4.7 Inhibition of glucose-stimulated insulin release in betaTC6 cells 16821773

Literature References

PubMed DOI Target Context # Activities
16821773 10.1021/jm060042j Beta-TC6 2
16821773 10.1021/jm060042j Rattus norvegicus 1
16821773 10.1021/jm060042j Beta-TC3 1

Data from ChEMBL 36 via Core Engine