Compound Detail
CHEMBL429594
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Basic Information
| ChEMBL ID | CHEMBL429594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEVVPWOEIHLQGH-REOHCLBHSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
189.2
MW (Da)
-0.80
ALogP
6
HBA
3
HBD
109.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.8
IC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Glutamate receptor 3 CHEMBL3595 | Ki | 6.8 | 6.8 | 160.0 | 1 |
| Glutamate receptor 4 CHEMBL3190 | Ki | 6.74 | 6.74 | 182.0 | 1 |
| Glutamate receptor 1 CHEMBL2009 | Ki | 6.73 | 6.73 | 185.0 | 1 |
| Glutamate receptor 2 CHEMBL4016 | Ki | 6.56 | 6.525 | 273.0 | 2 |
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | Ki | 4.73 | 4.73 | 18500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 65.0 | nM | 7.19 | Displacement of [3H]AMPA from AMPA receptor in rat cortical synaptosomes | - |
| Glutamate receptor 3 | Ki | = | 160.0 | nM | 6.8 | Binding affinity at iGluR3o receptor expressed in sf9 cells by radioligand bindi... | 18269227 |
| Glutamate receptor 4 | Ki | = | 182.0 | nM | 6.74 | Binding affinity at iGluR4o receptor expressed in sf9 cells by radioligand bindi... | 18269227 |
| Glutamate receptor 1 | Ki | = | 185.0 | nM | 6.73 | Binding affinity at iGluR1o receptor expressed in sf9 cells by radioligand bindi... | 18269227 |
| Glutamate receptor 2 | Ki | = | 273.0 | nM | 6.56 | Binding affinity at iGluR2o(R) receptor expressed in sf9 cells by radioligand bi... | 18269227 |
| Glutamate receptor 2 | Ki | = | 323.0 | nM | 6.49 | Binding affinity at iGluR2 receptor S1S2J domain expressed in sf9 cells by radio... | 18269227 |
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 18500.0 | nM | 4.73 | Binding affinity at iGluR5(Q) receptor expressed in sf9 cells by radioligand bin... | 18269227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18269227 | 10.1021/jm701126w | Glutamate receptor 2 | 2 |
| - | 10.1039/C5MD00182J | Unchecked | 2 |
| 18269227 | 10.1021/jm701126w | Glutamate receptor 1 | 1 |
| 18269227 | 10.1021/jm701126w | Glutamate receptor 3 | 1 |
| 18269227 | 10.1021/jm701126w | Glutamate receptor 4 | 1 |
| 18269227 | 10.1021/jm701126w | Glutamate receptor ionotropic, kainate 1 | 1 |
| 18269227 | 10.1021/jm701126w | Glutamate receptor ionotropic, kainate 2 | 1 |
| - | 10.1039/C5MD00182J | Glutamate NMDA receptor | 1 |
| - | 10.1039/C5MD00182J | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine