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Compound Detail

CHEMBL260642

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CC(C)CN(C)c1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3ccnn3)c1)=N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL260642
Phase Preclinical
Structure Type MOL
InChI Key GKGGRNXTYYJBPH-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.5
MW (Da)
4.84
ALogP
6
HBA
1
HBD
75.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23F3N6O
MW 456.47
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.34

Activity Summary

IC50 2 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 IC50 7.96 7.905 11.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 IC50 = 11.0 nM 7.96 Displacement of [3H]LY354740 from rat mGluR2 18374569
Metabotropic glutamate receptor 2 IC50 = 14.0 nM 7.85 Antagonist activity at rat mGluR2 assessed as blockade of (1S,3R)-ACPD-induced i... 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