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Compound Detail

CHEMBL63816

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CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL63816
Phase Preclinical
Structure Type MOL
InChI Key HWBOIASHMSQVLM-ZIAGYGMSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.8
MW (Da)
3.30
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20ClNO2S
MW 301.84
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.67

Activity Summary

EC50 1 meas. best 6.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 4
CHEMBL3190
 EC50 6.61 6.61 247.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor 4 EC50 = 247.0 nM 6.61 Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 c... 11985477

Literature References

PubMed DOI Target Context # Activities
11985477 10.1021/jm0105474 Glutamate receptor 4 1

Data from ChEMBL 36 via Core Engine