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Compound Detail

CHEMBL566754

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CCOC(=O)c1c(N=NN2CCOCC2)sc(-c2ccccc2)c1C

Basic Information

ChEMBL ID CHEMBL566754
Phase Preclinical
Structure Type MOL
InChI Key RCOGMGFFZKIOTH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
4.23
ALogP
6
HBA
0
HBD
63.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3O3S
MW 359.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 4.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 6
CHEMBL4573
IC50 4.27 4.27 54000.0 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