Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL568515

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCOC(=O)c1c(N)sc(-c2ccccc2)c1C

Basic Information

ChEMBL ID CHEMBL568515
Phase Preclinical
Structure Type MOL
InChI Key ASPZLOAYQGNTOO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
3.87
ALogP
4
HBA
1
HBD
52.3
PSA (Ų)
0.86
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 C15H17NO2S
MW 275.37
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.82

Activity Summary

IC50 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 6
CHEMBL4573
IC50 5.62 5.62 2400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19819046 10.1016/j.ejmech.2009.09.025 N2a 2
19819046 10.1016/j.ejmech.2009.09.025 ADMET 2
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