Compound Detail
CHEMBL39773
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Basic Information
| ChEMBL ID | CHEMBL39773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDSPPHOSNHTINE-QMMMGPOBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
339.1
MW (Da)
1.41
ALogP
4
HBA
2
HBD
92.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| Glutamate [NMDA] receptor CHEMBL2094124 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 8.0 | 8.0 | 9.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 2.3 | nM | 8.64 | Affinity for the glycine binding site of NMDA receptor by inhibition of [3H]5,7-... | 7966156 |
| Glutamate [NMDA] receptor | Ki | = | 2.3 | nM | 8.64 | Displacement of [3H]DCKA from NMDA receptor (unknown origin) | 34998058 |
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 9.9 | nM | 8.0 | Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7966156 | 10.1021/jm00049a015 | Glutamate NMDA receptor | 2 |
| - | 10.1016/0960-894X(95)00243-M | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate [NMDA] receptor | 1 |
Data from ChEMBL 36 via Core Engine