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Compound Detail

CHEMBL212476

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CN1C(NC2(C)CC2)=NS(=O)(=O)c2sc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212476
Phase Preclinical
Structure Type MOL
InChI Key YXYRINCWOAITLM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

305.8
MW (Da)
2.04
ALogP
5
HBA
1
HBD
61.8
PSA (Ų)
0.86
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 C10H12ClN3O2S2
MW 305.81
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.87

Activity Summary

EC50 1 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-TC6
CHEMBL614357
 EC50 6.13 6.13 740.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-TC6 EC50 = 740.0 nM 6.13 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