Compound Detail
CHEMBL41306
CNS-5161 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL41306 |
| Name | CNS-5161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHVHEDNLONERHY-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
2
Known Names
1
Mechanisms
Molecular Properties
351.9
MW (Da)
5.27
ALogP
3
HBA
2
HBD
39.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Glutamate [NMDA] receptor blocker | BLOCKER | Glutamate [NMDA] receptor | ✓ | ✓ |
Activity Summary
IC50 2 meas. best 5.76
Ki 2 meas. best 8.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 8.73 | 8.73 | 1.9 | 1 |
| Glutamate [NMDA] receptor CHEMBL2094124 | Ki | 8.71 | 8.71 | 1.9 | 1 |
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2096682 | IC50 | 5.76 | 5.76 | 1750.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.65 | 5.65 | 2250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 1.87 | nM | 8.73 | In vitro binding to N-methyl-D-aspartate glutamate receptor using [3H]MK-801 (1 ... | 12039567 |
| Glutamate [NMDA] receptor | Ki | = | 1.94 | nM | 8.71 | In vitro displacement of [3H]MK-801 from N-methyl-D-aspartate glutamate receptor | 11229757 |
| Sodium channel alpha subunits; brain (Types I, II, III) | IC50 | = | 1750.0 | nM | 5.76 | Neuronal sodium channel blocking activity by [14C]guanidinium flux assay | 11229757 |
| Unchecked | IC50 | = | 2250.0 | nM | 5.65 | Cardiac sodium channel blocking activity by [14C]guanidinium flux assay | 11229757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11229757 | 10.1016/s0960-894x(00)00695-8 | Rattus norvegicus | 3 |
| 11229757 | 10.1016/s0960-894x(00)00695-8 | Unchecked | 2 |
| 12039567 | 10.1016/s0960-894x(02)00235-4 | Glutamate NMDA receptor | 1 |
| 12039567 | 10.1016/s0960-894x(02)00235-4 | No relevant target | 1 |
| 11229757 | 10.1016/s0960-894x(00)00695-8 | Glutamate [NMDA] receptor | 1 |
| 11229757 | 10.1016/s0960-894x(00)00695-8 | Sodium channel alpha subunits; brain (Types I, II, III) | 1 |
| 11229757 | 10.1016/s0960-894x(00)00695-8 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine