Compound Detail
CHEMBL42990
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Basic Information
| ChEMBL ID | CHEMBL42990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYMGARVNBZIVCW-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.1
MW (Da)
1.57
ALogP
5
HBA
4
HBD
146.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.47
Ki 1 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 8.47 | 6.5367 | 3.4 | 3 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 8.47 | 8.47 | 3.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 3.4 | nM | 8.47 | Tested for binding affinity against NMDA receptor, from rat synaptic membrane, u... | 8093907 |
| Glutamate NMDA receptor | Ki | = | 3.4 | nM | 8.47 | Binding affinity to the glutamate site of the NMDA receptor was measured by comp... | - |
| Glutamate NMDA receptor | IC50 | = | 610.0 | nM | 6.21 | Tested for binding affinity against NMDA receptor, from rat synaptic membrane, u... | 8093907 |
| Glutamate NMDA receptor | IC50 | = | 11700.0 | nM | 4.93 | Tested for binding affinity against NMDA receptor, from rat synaptic membrane, u... | 8093907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8093907 | 10.1021/jm00055a004 | Glutamate NMDA receptor | 4 |
| - | 10.1016/0960-894X(96)00288-0 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine