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Compound Detail

CHEMBL283378

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CCN1CCc2ccsc2C1C(C)C

Basic Information

ChEMBL ID CHEMBL283378
Phase Preclinical
Structure Type MOL
InChI Key HDKWPALIOLJGEH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

209.4
MW (Da)
3.32
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H19NS
MW 209.36
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.54

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2C
CHEMBL401
IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2542555 10.1021/jm00126a016 Glutamate receptor ionotropic, NMDA 2C 1
2542555 10.1021/jm00126a016 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine