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Compound Detail

CHEMBL214834

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CC(C)(C)c1ccc(-c2c(C(=O)O)sc(C(F)(F)F)c2C#N)cc1

Basic Information

ChEMBL ID CHEMBL214834
Phase Preclinical
Structure Type MOL
InChI Key IEKNNRQNPQYALN-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
5.30
ALogP
3
HBA
1
HBD
61.1
PSA (Ų)
0.80
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14F3NO2S
MW 353.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.07

Activity Summary

EC50 4 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 2
CHEMBL4016
EC50 7.11 6.875 78.0 2
Glutamate receptor 4
CHEMBL3190
EC50 6.56 6.435 273.0 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

Data from ChEMBL 36 via Core Engine