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

CHEMBL181869

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
CC1(C2CCCC2)Cc2cc(OCc3cccc(-c4nn[nH]n4)c3)c(Cl)c(Cl)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL181869
Phase Preclinical
Structure Type MOL
InChI Key ATQAQBDNEQGMEP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

457.4
MW (Da)
5.69
ALogP
5
HBA
1
HBD
80.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22Cl2N4O2
MW 457.36
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.24

Activity Summary

EC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL5137
 EC50 6.43 6.43 371.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 371.0 nM 6.43 Binding affinity against metabotropic glutamate receptor 2 15745798

Literature References

PubMed DOI Target Context # Activities
15745798 10.1016/j.bmcl.2005.01.077 Metabotropic glutamate receptor 2 1
15745798 10.1016/j.bmcl.2005.01.077 Cell line 1

Data from ChEMBL 36 via Core Engine