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Compound Detail

CHEMBL233807

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CCS(=O)(=O)c1cc(C#N)cc(-c2ccc3ccc(C)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL233807
Phase Preclinical
Structure Type MOL
InChI Key QVOSDMSTRXGGCA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.88
ALogP
4
HBA
0
HBD
70.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N2O2S
MW 336.42
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.64

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 5
CHEMBL2564
IC50 5.96 5.96 1090.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17590335 10.1016/j.bmcl.2007.06.030 Metabotropic glutamate receptor 5 1

Data from ChEMBL 36 via Core Engine