Compound Detail
CHEMBL281190
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Basic Information
| ChEMBL ID | CHEMBL281190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEEABICQMLEYCN-IYSWYEEDSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
251.2
MW (Da)
-0.81
ALogP
4
HBA
4
HBD
123.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.19
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 7.19 | 7.18 | 64.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 40.0 | nM | 7.4 | Binding potency for NMDA site of the glutamate receptor complex using rat brain ... | - |
| Glutamate NMDA receptor | Ki | = | 64.0 | nM | 7.19 | Binding affinity to the glutamate site of the NMDA receptor was measured by comp... | - |
| Glutamate NMDA receptor | Ki | = | 64.0 | nM | 7.19 | The compound was tested for NMDA antagonist activity against [3H]-CGS- 19755 bin... | - |
| Glutamate NMDA receptor | Ki | = | 69.0 | nM | 7.16 | The compound was tested for NMDA antagonist activity against [3H]-CGS- 19755 bin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80223-1 | Glutamate NMDA receptor | 3 |
| - | 10.1016/S0960-894X(00)80084-0 | Glutamate NMDA receptor | 1 |
| - | 10.1016/0960-894X(96)00288-0 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine