Compound Detail
CHEMBL4516570
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Basic Information
| ChEMBL ID | CHEMBL4516570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNOORNNENVRQKM-FGZHOGPDSA-N |
1
Targets
2
Activities
2
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
4.61
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.42
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 8.05 | 8.05 | 8.9 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | EC50 | 7.42 | 7.42 | 38.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.001 | - | Homo sapiens |
| Fu | 0.001 | - | Rattus norvegicus |
| Fu | 0.001 | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | Ki | = | 8.9 | nM | 8.05 | Displacement of [3H]-MPEP from human mGluR5A transfected in HEK293 cells after 6... | 27496211 |
| Metabotropic glutamate receptor 5 | EC50 | = | 38.0 | nM | 7.42 | Positive allosteric modulation of human mGluR5A transfected in HEK293 cells asse... | 27496211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27496211 | 10.1016/j.bmcl.2016.07.065 | Metabotropic glutamate receptor 5 | 4 |
| 27496211 | 10.1016/j.bmcl.2016.07.065 | ADMET | 3 |
Data from ChEMBL 36 via Core Engine