Compound Detail
CHEMBL3764138
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Basic Information
| ChEMBL ID | CHEMBL3764138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUFVRRKYTIGEFW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
393.9
MW (Da)
5.70
ALogP
3
HBA
0
HBD
47.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 8.02 | 8.02 | 9.5 | 2 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 7.77 | 7.77 | 17.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | Ki | = | 9.5 | nM | 8.02 | Displacement of [3H]MPEP from rat mGlu5 receptor expressed in rat cerebrocortica... | 26774652 |
| Metabotropic glutamate receptor 5 | Ki | = | 9.5 | nM | 8.02 | Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebrocortical mem... | 28212015 |
| Metabotropic glutamate receptor 5 | Ki | = | 17.0 | nM | 7.77 | Displacement of [3H]MPEP from recombinant human mGluR5a expressed in A18 cells m... | 26774652 |
| Metabotropic glutamate receptor 5 | Ki | = | 17.0 | nM | 7.77 | Displacement of [3H]M-MPEP from recombinant human mGluR5a expressed in human A18... | 28212015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26774652 | 10.1016/j.bmcl.2016.01.024 | Liver microsome | 2 |
| 26774652 | 10.1016/j.bmcl.2016.01.024 | Metabotropic glutamate receptor 5 | 2 |
| 28212015 | 10.1021/acs.jmedchem.6b01858 | Metabotropic glutamate receptor 5 | 2 |
| 28212015 | 10.1021/acs.jmedchem.6b01858 | Liver | 2 |
Data from ChEMBL 36 via Core Engine