Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL437646

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(Br)cc2N1

Basic Information

ChEMBL ID CHEMBL437646
Phase Preclinical
Structure Type MOL
InChI Key VBUYFLFOIZCYJN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.2
MW (Da)
4.10
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.73
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 C18H13BrN4O
MW 381.23
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 7.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
IC50 7.14 7.14 72.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 IC50 = 72.0 nM 7.14 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