Compound Detail
CHEMBL2338587
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Basic Information
| ChEMBL ID | CHEMBL2338587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSQGEPYGCDINHA-IAGOWNOFSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.42
ALogP
4
HBA
2
HBD
94.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.64
Ki 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 6.64 | 6.64 | 231.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 5.89 | 5.89 | 1275.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 231.0 | nM | 6.64 | Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibi... | 23357634 |
| Metabotropic glutamate receptor 5 | Ki | = | 1275.0 | nM | 5.89 | Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60... | 23357634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23357634 | 10.1016/j.bmcl.2012.12.078 | Liver microsomes | 2 |
| 23357634 | 10.1016/j.bmcl.2012.12.078 | Metabotropic glutamate receptor 1 | 2 |
| 23357634 | 10.1016/j.bmcl.2012.12.078 | Metabotropic glutamate receptor 5 | 2 |
| 23357634 | 10.1016/j.bmcl.2012.12.078 | No relevant target | 1 |
| 23357634 | 10.1016/j.bmcl.2012.12.078 | Plasma | 1 |
| 23357634 | 10.1016/j.bmcl.2012.12.078 | Liver | 1 |
Data from ChEMBL 36 via Core Engine