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Compound Detail

CHEMBL473806

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Cc1ccc(N2C(=O)c3ccccc3NC2C(C)c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL473806
Phase Preclinical
Structure Type MOL
InChI Key QZAOSZVJAXUJFE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
5.20
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.71
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O
MW 342.44
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.37

Activity Summary

EC50 2 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 5.52 5.52 3000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19097893 10.1016/j.bmcl.2008.11.104 Metabotropic glutamate receptor 4 2
21688779 10.1021/jm200290z Metabotropic glutamate receptor 4 2

Data from ChEMBL 36 via Core Engine