Compound Detail
CHEMBL230852
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Basic Information
| ChEMBL ID | CHEMBL230852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFYDZMMMXYAZLT-BXXZVTAOSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
195.2
MW (Da)
-1.33
ALogP
4
HBA
3
HBD
117.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 4.17 | 4.17 | 67000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.15 | 4.145 | 71000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | Ki | = | 67000.0 | nM | 4.17 | Binding affinity to mGluR5 receptor expressed in BHK cells | 17725337 |
| Unchecked | Ki | = | 71000.0 | nM | 4.15 | Displacement of [3H]kainic acid from rat KA receptor expressed in BHK cells | 17725337 |
| Unchecked | Ki | = | 72000.0 | nM | 4.14 | Displacement of [3H]AMPA from rat AMPA receptor expressed in BHK cells | 17725337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17725337 | 10.1021/jm070322e | Unchecked | 2 |
| 17725337 | 10.1021/jm070322e | Metabotropic glutamate receptor 4 | 1 |
| 17725337 | 10.1021/jm070322e | Metabotropic glutamate receptor 1 | 1 |
| 17725337 | 10.1021/jm070322e | Metabotropic glutamate receptor 5 | 1 |
| 17725337 | 10.1021/jm070322e | Metabotropic glutamate receptor 2 | 1 |
| 17725337 | 10.1021/jm070322e | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine