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Compound Detail

CHEMBL5416254

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CN1CN(C2CC2)c2ccc(F)cc2S1(=O)=O

Basic Information

ChEMBL ID CHEMBL5416254
Phase Preclinical
Structure Type MOL
InChI Key YLYUWDAVNNVJLE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
1.39
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13FN2O2S
MW 256.30
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.27

Activity Summary

EC50 1 meas. best 4.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic AMPA
CHEMBL2096670
EC50 4.24 4.24 57544.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36863228 10.1016/j.ejmech.2023.115221 Glutamate receptor ionotropic, AMPA 2
36863228 10.1016/j.ejmech.2023.115221 Glutamate receptor ionotropic AMPA 1

Data from ChEMBL 36 via Core Engine