Compound Detail
CHEMBL61720
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Basic Information
| ChEMBL ID | CHEMBL61720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAOLWEYKTUSPPC-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
353.2
MW (Da)
3.55
ALogP
6
HBA
2
HBD
84.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.36
EC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 8.36 | 7.41 | 4.4 | 2 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 4.4 | nM | 8.36 | Binding affinity at glycine binding site of NMDA receptor in rat cortical membra... | 11384240 |
| Glutamate [NMDA] receptor | IC50 | = | 4.4 | nM | 8.36 | Displacement of [3H]L-689560 from NMDA receptor (unknown origin) | 34998058 |
| Rattus norvegicus | EC50 | = | 350.0 | nM | 6.46 | Inhibition of NMDA-induced depolarizations in rat cortical wedges. | 11384240 |
| Glutamate [NMDA] receptor | IC50 | = | 350.0 | nM | 6.46 | Displacement of [3H]NMDA from NMDA receptor (unknown origin) | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate [NMDA] receptor | 2 |
| 11384240 | 10.1021/jm001124p | Glutamate NMDA receptor | 1 |
| 11384240 | 10.1021/jm001124p | Rattus norvegicus | 1 |
| 11384240 | 10.1021/jm001124p | Mus musculus | 1 |
| 11384240 | 10.1021/jm001124p | No relevant target | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine