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Compound Detail

CHEMBL1629844

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COc1ccc(-c2cccc(C3=Nc4cc(C)c(C(F)(F)F)cc4NC(=O)C3)c2)cn1

Basic Information

ChEMBL ID CHEMBL1629844
Phase Preclinical
Structure Type MOL
InChI Key LICCHTBTXHADRS-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.4
MW (Da)
5.55
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.60
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 C23H18F3N3O2
MW 425.41
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.04

Activity Summary

IC50 2 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
IC50 8.3 8.15 5.0 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