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Compound Detail

CHEMBL216478

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CSc1oc(C(=O)O)c(-c2ccc(C(C)(C)C)cc2)c1C#N

Basic Information

ChEMBL ID CHEMBL216478
Phase Preclinical
Structure Type MOL
InChI Key OPXKCSMQHPTQDF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
4.54
ALogP
4
HBA
1
HBD
74.2
PSA (Ų)
0.84
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 C17H17NO3S
MW 315.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.74

Activity Summary

EC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 4
CHEMBL3190
EC50 5.7 5.7 1979.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor 4 EC50 = 1979.0 nM 5.7 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