Compound Detail
CHEMBL389555
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Basic Information
| ChEMBL ID | CHEMBL389555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFYDZMMMXYAZLT-JJYYJPOSSA-N |
3
Targets
3
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 3 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.47 | 4.47 | 34000.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | Ki | 4.11 | 4.11 | 77000.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 4.09 | 4.09 | 81000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 34000.0 | nM | 4.47 | Displacement of [3H]kainic acid from rat KA receptor expressed in BHK cells | 17725337 |
| Metabotropic glutamate receptor 1 | Ki | = | 77000.0 | nM | 4.11 | Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells | 17725337 |
| Metabotropic glutamate receptor 5 | Ki | = | 81000.0 | nM | 4.09 | Binding affinity to mGluR5 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