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Compound Detail

CHEMBL1629858

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Cc1cc(-c2cccc(C3=Nc4cc(C)c(C(F)(F)F)cc4NC(=O)C3)c2)cc(CO)n1

Basic Information

ChEMBL ID CHEMBL1629858
Phase Preclinical
Structure Type MOL
InChI Key GDYWGLMQEGYXFJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.4
MW (Da)
5.34
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.58
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 C24H20F3N3O2
MW 439.44
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.63

Activity Summary

IC50 2 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
IC50 7.85 7.835 14.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20971004 10.1016/j.bmcl.2010.09.125 Metabotropic glutamate receptor 2 2

Data from ChEMBL 36 via Core Engine