Compound Detail
CHEMBL65886
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
Basic Information
| ChEMBL ID | CHEMBL65886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQGBBQTUUWZZFY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
185.2
MW (Da)
2.54
ALogP
2
HBA
0
HBD
12.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.09
Ki 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 6.82 | 6.82 | 153.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 81.0 | nM | 7.09 | Tested in vitro against human recombinant Metabotropic glutamate receptor 5 stab... | 12519057 |
| Metabotropic glutamate receptor 5 | Ki | = | 153.0 | nM | 6.82 | Tested for displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl) pyridine from M... | 12519057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12519057 | 10.1021/jm025570j | Metabotropic glutamate receptor 5 | 2 |
| 12519057 | 10.1021/jm025570j | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine