Compound Detail
CHEMBL230951
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Basic Information
| ChEMBL ID | CHEMBL230951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBOQYPQEPHKASR-VKHMYHEASA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
183.2
MW (Da)
-1.32
ALogP
4
HBA
3
HBD
117.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.62
IC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.62 | 5.31 | 2400.0 | 2 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
| Cystine/glutamate transporter CHEMBL1075149 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| Metabotropic glutamate receptor 4 CHEMBL2736 | Ki | 4.28 | 4.28 | 53000.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 4.27 | 4.27 | 54000.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | Ki | 4.06 | 4.06 | 87000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2400.0 | nM | 5.62 | Displacement of [3H]AMPA from rat AMPA receptor expressed in BHK cells | 17725337 |
| Glutamate NMDA receptor | Ki | = | 2700.0 | nM | 5.57 | Displacement of [3H]CGP-39653 from rat NMDA receptor expressed in BHK cells | 17725337 |
| Unchecked | Ki | = | 9900.0 | nM | 5.0 | Displacement of [3H]kainic acid from rat KA receptor expressed in BHK cells | 17725337 |
| Cystine/glutamate transporter | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of amino acid transport system xc- | 20303751 |
| Metabotropic glutamate receptor 4 | Ki | = | 53000.0 | nM | 4.28 | Displacement of [3H]LAP4 from mGluR4 receptor expressed in BHK cells | 17725337 |
| Metabotropic glutamate receptor 5 | Ki | = | 54000.0 | nM | 4.27 | Binding affinity to mGluR5 receptor expressed in BHK cells | 17725337 |
| Metabotropic glutamate receptor 1 | Ki | = | 87000.0 | nM | 4.06 | Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells | 17725337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17725337 | 10.1021/jm070322e | Unchecked | 2 |
| 36403421 | 10.1016/j.ejmech.2022.114935 | Phosphoserine phosphatase SerB2 | 2 |
| 15801843 | 10.1021/jm049092j | 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 | Metabotropic glutamate receptor 4 | 1 |
| 17725337 | 10.1021/jm070322e | Glutamate NMDA receptor | 1 |
| 18462943 | 10.1016/j.bmc.2008.04.015 | Unchecked | 1 |
| 20303751 | 10.1016/j.bmcl.2009.10.020 | Cystine/glutamate transporter | 1 |
Data from ChEMBL 36 via Core Engine