Compound Detail
CHEMBL215561
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Basic Information
| ChEMBL ID | CHEMBL215561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIRCGTAVXKWHDG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
3.07
ALogP
4
HBA
1
HBD
55.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 6.08 | 6.08 | 825.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 825.0 | nM | 6.08 | Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mob... | 16839764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16839764 | 10.1016/j.bmcl.2006.06.079 | Metabotropic glutamate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine