Compound Detail
CHEMBL204115
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Basic Information
| ChEMBL ID | CHEMBL204115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUOMULXJQRIOLG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
266.7
MW (Da)
1.29
ALogP
3
HBA
2
HBD
73.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 58.0 | nM | 7.24 | Negative allosteric modulation of human mGlu5a receptor expressed in HEK293 cell... | 28109949 |
| Metabotropic glutamate receptor 5 | IC50 | = | 2300.0 | nM | 5.64 | Negative allosteric modulation of rat N-terminal HA-tagged mGlu5 receptor expres... | 28109949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28109949 | 10.1016/j.ejmech.2017.01.013 | Metabotropic glutamate receptor 5 | 4 |
| 16380255 | 10.1016/j.bmcl.2005.11.092 | Metabotropic glutamate receptor 5 | 2 |
Data from ChEMBL 36 via Core Engine