Compound Detail
CHEMBL464372
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Basic Information
| ChEMBL ID | CHEMBL464372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMYLVINSXJQURM-UHFFFAOYSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
255.2
MW (Da)
2.65
ALogP
3
HBA
1
HBD
65.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.66
Ki 3 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL2564 | IC50 | 7.66 | 7.5033 | 21.7 | 3 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 7.18 | 7.0533 | 65.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 21.7 | nM | 7.66 | Antagonist activity at rat mGluR5 expressed in HEK293A cells assessed as glutama... | 19445453 |
| Metabotropic glutamate receptor 5 | IC50 | = | 21.7 | nM | 7.66 | Antagonist activity at rat mGluR5 expressed in HEK293T cells assessed as inhibit... | 21295978 |
| Metabotropic glutamate receptor 5 | IC50 | = | 65.0 | nM | 7.19 | Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as... | 20598884 |
| Metabotropic glutamate receptor 5 | Ki | = | 65.5 | nM | 7.18 | Displacement of [3H]MPEP from rat brain recombinant mGluR5 expressed in HEK293T ... | 19445453 |
| Metabotropic glutamate receptor 5 | Ki | = | 65.5 | nM | 7.18 | Displacement of [3H]-MPEP from mGluR5 in rat brain | 21295978 |
| Metabotropic glutamate receptor 5 | Ki | = | 157.0 | nM | 6.8 | Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A ce... | 20598884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19445453 | 10.1021/jm900172f | Metabotropic glutamate receptor 5 | 3 |
| 20598884 | 10.1016/j.bmcl.2010.06.064 | Metabotropic glutamate receptor 5 | 3 |
| 20598884 | 10.1016/j.bmcl.2010.06.064 | Plasma | 2 |
| 20598884 | 10.1016/j.bmcl.2010.06.064 | Liver microsomes | 2 |
| 21295978 | 10.1016/j.bmcl.2010.12.110 | Metabotropic glutamate receptor 5 | 2 |
| 19445453 | 10.1021/jm900172f | Metabotropic glutamate receptor 1 | 1 |
| 19445453 | 10.1021/jm900172f | Metabotropic glutamate receptor 6 | 1 |
| 20598884 | 10.1016/j.bmcl.2010.06.064 | Metabotropic glutamate receptor 8 | 1 |
| 20598884 | 10.1016/j.bmcl.2010.06.064 | Metabotropic glutamate receptor 7 | 1 |
| 20598884 | 10.1016/j.bmcl.2010.06.064 | Metabotropic glutamate receptor 4 | 1 |
| 20598884 | 10.1016/j.bmcl.2010.06.064 | Metabotropic glutamate receptor 3 | 1 |
| 20598884 | 10.1016/j.bmcl.2010.06.064 | Metabotropic glutamate receptor 2 | 1 |
| 20598884 | 10.1016/j.bmcl.2010.06.064 | Metabotropic glutamate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine