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Compound Detail

CHEMBL334920

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CC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccsc2)cc1

Basic Information

ChEMBL ID CHEMBL334920
Phase Preclinical
Structure Type MOL
InChI Key QFAUPDBCVKBKSH-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

323.5
MW (Da)
3.85
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21NO2S2
MW 323.48
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.64

Activity Summary

EC50 2 meas. best 6.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 4
CHEMBL3190
EC50 6.18 6.18 660.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16879964 10.1016/j.bmcl.2006.07.035 Glutamate receptor 4 2
16879964 10.1016/j.bmcl.2006.07.035 Glutamate receptor 2 2
11087558 10.1021/jm0002836 Glutamate receptor 4 1
21636275 10.1016/j.bmcl.2011.05.026 Unchecked 1

Data from ChEMBL 36 via Core Engine