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Compound Detail

CHEMBL577069

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Cc1c(-c2ccccc2)sc(N)c1C(=O)OC(C)(C)C

Basic Information

ChEMBL ID CHEMBL577069
Phase Preclinical
Structure Type MOL
InChI Key RUHLAOLIEGUBKZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
4.26
ALogP
4
HBA
1
HBD
52.3
PSA (Ų)
0.84
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 C16H19NO2S
MW 289.40
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.69

Activity Summary

IC50 1 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 6
CHEMBL4573
IC50 5.44 5.44 3600.0 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