Compound Detail
CHEMBL229429
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Basic Information
| ChEMBL ID | CHEMBL229429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTLBLIGPXACYET-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
3.02
ALogP
3
HBA
0
HBD
36.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.44
Ki 1 meas. best 10.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL2564 | IC50 | 10.44 | 10.44 | 0.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 10.44 | 10.44 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 0.036 | nM | 10.44 | Displacement of [3H]MPEP from mGluR5 in rat brain membrane | 17571866 |
| Metabotropic glutamate receptor 5 | Ki | = | 0.036 | nM | 10.44 | Displacement of [3H]MPEP from mGluR5 in rat brain | 21207959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17571866 | 10.1021/jm0701268 | Metabotropic glutamate receptor 5 | 2 |
| 21207959 | 10.1021/jm101430m | Metabotropic glutamate receptor 5 | 1 |
| 17571866 | 10.1021/jm0701268 | No relevant target | 1 |
| 17571866 | 10.1021/jm0701268 | Alpha-1B adrenergic receptor | 1 |
| 17571866 | 10.1021/jm0701268 | Alpha-1A adrenergic receptor | 1 |
| 17571866 | 10.1021/jm0701268 | 5-hydroxytryptamine receptor 7 | 1 |
| 17571866 | 10.1021/jm0701268 | 5-hydroxytryptamine receptor 6 | 1 |
| 17571866 | 10.1021/jm0701268 | 5-hydroxytryptamine receptor 5A | 1 |
| 17571866 | 10.1021/jm0701268 | Serotonin 3 (5-HT3) receptor | 1 |
| 17571866 | 10.1021/jm0701268 | 5-hydroxytryptamine receptor 2C | 1 |
| 17571866 | 10.1021/jm0701268 | 5-hydroxytryptamine receptor 2B | 1 |
| 17571866 | 10.1021/jm0701268 | 5-hydroxytryptamine receptor 2A | 1 |
| 17571866 | 10.1021/jm0701268 | 5-hydroxytryptamine receptor 1E | 1 |
| 17571866 | 10.1021/jm0701268 | 5-hydroxytryptamine receptor 1D | 1 |
| 17571866 | 10.1021/jm0701268 | 5-hydroxytryptamine receptor 1B | 1 |
| 17571866 | 10.1021/jm0701268 | 5-hydroxytryptamine receptor 1A | 1 |
| 17571866 | 10.1021/jm0701268 | Metabotropic glutamate receptor 8 | 1 |
| 17571866 | 10.1021/jm0701268 | Metabotropic glutamate receptor 6 | 1 |
| 17571866 | 10.1021/jm0701268 | Metabotropic glutamate receptor 4 | 1 |
| 17571866 | 10.1021/jm0701268 | Metabotropic glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine