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Compound Detail

CHEMBL378065

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C[S+]([O-])c1sc(C(=O)O)c(-c2ccc(C(C)(C)C)cc2)c1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378065
Phase Preclinical
Structure Type MOL
InChI Key CTOMJEIBBNGGHQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

347.5
MW (Da)
4.02
ALogP
4
HBA
1
HBD
84.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17NO3S2
MW 347.46
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.86

Activity Summary

EC50 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 4
CHEMBL3190
 EC50 6.31 6.31 489.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor 4 EC50 = 489.0 nM 6.31 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