Compound Detail
CHEMBL1169453
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Basic Information
| ChEMBL ID | CHEMBL1169453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWDRAHDWMICWJM-BHTRQJOGSA-N |
| Parent Compound | CHEMBL420533 |
| Active Moiety | CHEMBL420533 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
2.39
ALogP
4
HBA
0
HBD
35.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 8.15 | 7.74 | 7.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 7.0 | nM | 8.15 | In vitro functional potency using an automated assay employing LtK-cells stably ... | 12565928 |
| Metabotropic glutamate receptor 5 | IC50 | = | 47.0 | nM | 7.33 | Binding affinity towards human mGlu5 receptors expressed in LtK-cells | 12565928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565928 | 10.1016/s0960-894x(02)00997-6 | Metabotropic glutamate receptor 5 | 2 |
| 12565928 | 10.1016/s0960-894x(02)00997-6 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine