Compound Detail
CHEMBL167548
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Basic Information
| ChEMBL ID | CHEMBL167548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOTFPBSIGVOVNZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
336.2
MW (Da)
1.33
ALogP
6
HBA
2
HBD
109.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate [NMDA] receptor | IC50 | = | 360.0 | nM | 6.44 | Tested for the affinity to the glycine site -NMDA receptor using [3H]Gly as radi... | - |
| Rattus norvegicus | IC50 | = | 11000.0 | nM | 4.96 | Tested for the ability to suppress the spontaneous epileptiform discharge rate i... | - |
| Glutamate receptor ionotropic AMPA | IC50 | = | 14000.0 | nM | 4.85 | Tested for the affinity to the Ionotropic glutamate receptor AMPA using [3H]-AMP... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80095-5 | Glutamate [NMDA] receptor | 1 |
| - | 10.1016/S0960-894X(00)80095-5 | Glutamate receptor ionotropic AMPA | 1 |
| - | 10.1016/S0960-894X(00)80095-5 | Glutamate receptor ionotropic kainate | 1 |
| - | 10.1016/S0960-894X(00)80095-5 | No relevant target | 1 |
| - | 10.1016/S0960-894X(00)80095-5 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine