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Compound Detail

CHEMBL577248

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CCOC(=O)c1c(N)sc(-c2ccc(OC)cc2)c1C

Basic Information

ChEMBL ID CHEMBL577248
Phase Preclinical
Structure Type MOL
InChI Key MVSLPTXAIZOIBD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
3.49
ALogP
5
HBA
1
HBD
61.5
PSA (Ų)
0.88
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 C15H17NO3S
MW 291.37
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.76

Activity Summary

IC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 6
CHEMBL4573
IC50 5.07 5.07 8600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19819046 10.1016/j.ejmech.2009.09.025 Metabotropic glutamate receptor 5 1
19819046 10.1016/j.ejmech.2009.09.025 Metabotropic glutamate receptor 6 1

Data from ChEMBL 36 via Core Engine