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Compound Detail

CHEMBL377662

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CSc1sc(C(=O)O)c(-c2ccc(-c3ccccc3)cc2)c1C#N

Basic Information

ChEMBL ID CHEMBL377662
Phase Preclinical
Structure Type MOL
InChI Key RZEKJVHTNOHVAI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
5.37
ALogP
4
HBA
1
HBD
61.1
PSA (Ų)
0.64
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13NO2S2
MW 351.45
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.91

Activity Summary

EC50 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 4
CHEMBL3190
EC50 6.1 6.1 795.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor 4 EC50 = 795.0 nM 6.1 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