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

CHEMBL260455

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(-n3ccnn3)c2)=Nc2ccc(C(F)F)cc2N1

Basic Information

ChEMBL ID CHEMBL260455
Phase Preclinical
Structure Type MOL
InChI Key IQWHZSNUOSRCCB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.3
MW (Da)
3.67
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13F2N5O
MW 353.33
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
IC50 6.22 6.22 608.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 IC50 = 608.0 nM 6.22 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