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Compound Detail

CHEMBL218347

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CN(C)c1sc(C(=O)O)c(-c2ccc(C(C)(C)C)cc2)c1C#N

Basic Information

ChEMBL ID CHEMBL218347
Phase Preclinical
Structure Type MOL
InChI Key OLCMVCLJBGXVTE-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
4.35
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.91
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 -0.96

Activity Summary

EC50 3 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 2
CHEMBL4016
EC50 6.75 6.145 176.0 2
Glutamate receptor 4
CHEMBL3190
EC50 6.32 6.32 474.0 1

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