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Compound Detail

CHEMBL210210

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CC1(NC2=NS(=O)(=O)c3scc(Br)c3N2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL210210
Phase Preclinical
Structure Type MOL
InChI Key LVGINCMFJCKGQA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

336.2
MW (Da)
2.12
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 C9H10BrN3O2S2
MW 336.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.57

Activity Summary

EC50 1 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-TC6
CHEMBL614357
 EC50 5.17 5.17 6700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-TC6 EC50 = 6700.0 nM 5.17 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