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Compound Detail

CHEMBL260343

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O=C1CC(c2cccc(-n3ccnn3)c2)=Nc2ccc(Br)cc2N1

Basic Information

ChEMBL ID CHEMBL260343
Phase Preclinical
Structure Type MOL
InChI Key DHMITRBJSOGLHR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.2
MW (Da)
3.49
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12BrN5O
MW 382.22
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 IC50 = 130.0 nM 6.89 Displacement of [3H]LY354740 from rat mGluR2 18374569

Literature References

PubMed DOI Target Context # Activities
18374569 10.1016/j.bmcl.2008.02.076 Metabotropic glutamate receptor 2 2

Data from ChEMBL 36 via Core Engine