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

CHEMBL2179637

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=C(O)c1cc(F)cc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2179637
Phase Preclinical
Structure Type MOL
InChI Key JHBVDFXAWLGDRG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
5.67
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24FNO4
MW 445.49
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.59

Activity Summary

EC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
 EC50 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 EC50 = 130.0 nM 6.89 Positive allosteric modulation activity at rat mGlu2R expressed in HEK293 cells ... 23009245

Literature References

PubMed DOI Target Context # Activities
23009245 10.1021/jm3005306 Metabotropic glutamate receptor 2 2
23009245 10.1021/jm3005306 Liver microsomes 1
23009245 10.1021/jm3005306 Plasma 1
23009245 10.1021/jm3005306 ADMET 1

Data from ChEMBL 36 via Core Engine