Compound Detail
CHEMBL3597603
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Basic Information
| ChEMBL ID | CHEMBL3597603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTCIZTDNRWBZJS-REZTVBANSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.58
ALogP
5
HBA
0
HBD
72.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.38
IC50 1 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 7.38 | 7.38 | 41.8 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 6.96 | 6.96 | 111.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | Ki | = | 41.8 | nM | 7.38 | Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Re... | 26014480 |
| Metabotropic glutamate receptor 5 | IC50 | = | 91.0 | nM | 7.04 | Negative allosteric modulatory activity at human cloned mGluR5 receptor expresse... | 26014480 |
| Metabotropic glutamate receptor 5 | Ki | = | 111.0 | nM | 6.96 | Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain me... | 26014480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26014480 | 10.1016/j.bmc.2015.05.008 | Metabotropic glutamate receptor 5 | 3 |
| 26014480 | 10.1016/j.bmc.2015.05.008 | Metabotropic glutamate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine