Compound Detail
CHEMBL62164
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Basic Information
| ChEMBL ID | CHEMBL62164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSDAVLIROZXVMY-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
340.2
MW (Da)
2.94
ALogP
7
HBA
2
HBD
97.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
EC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 8.4 | 8.38 | 4.0 | 2 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 4.0 | nM | 8.4 | Binding affinity at glycine binding site of NMDA receptor in rat cortical membra... | 11384240 |
| Glutamate NMDA receptor | IC50 | = | 4.4 | nM | 8.36 | Antagonist activity at NMDA receptor in rat cortical wedges assessed as inhibiti... | 35033884 |
| Rattus norvegicus | EC50 | = | 420.0 | nM | 6.38 | Inhibition of NMDA-induced depolarizations in rat cortical wedges. | 11384240 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384240 | 10.1021/jm001124p | Glutamate NMDA receptor | 1 |
| 11384240 | 10.1021/jm001124p | Rattus norvegicus | 1 |
| 11384240 | 10.1021/jm001124p | No relevant target | 1 |
| 35033884 | 10.1016/j.bmc.2022.116614 | No relevant target | 1 |
| 35033884 | 10.1016/j.bmc.2022.116614 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine