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Compound Detail

CHEMBL384010

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CSc1c(C#N)c(-c2ccc(C(C)(C)C)cc2)c(C(=O)O)n1C

Basic Information

ChEMBL ID CHEMBL384010
Phase Preclinical
Structure Type MOL
InChI Key IOZCLHVNQRARRL-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
4.28
ALogP
4
HBA
1
HBD
66.0
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 C18H20N2O2S
MW 328.44
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.88

Activity Summary

EC50 4 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 4
CHEMBL3190
EC50 6.26 6.055 554.0 2
Glutamate receptor 2
CHEMBL4016
EC50 6.18 6.175 663.0 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