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Compound Detail

CHEMBL538396

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CCCSc1sc(C(=O)O)c(-c2ccc(C(C)(C)C)cc2)c1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL538396
Phase Preclinical
Structure Type MOL
InChI Key HQHWQUUGOSGZGE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
5.78
ALogP
4
HBA
1
HBD
61.1
PSA (Ų)
0.69
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO2S2
MW 359.52
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.23

Activity Summary

EC50 1 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 4
CHEMBL3190
 EC50 5.54 5.54 2892.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor 4 EC50 = 2892.0 nM 5.54 Activity against human GLUR4 flip expressed in HEK293 cells assessed as glutamat... 16879964

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

Data from ChEMBL 36 via Core Engine