Compound Detail
CHEMBL42885
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Basic Information
| ChEMBL ID | CHEMBL42885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRZFFXAQUJCEHR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
242.2
MW (Da)
-0.76
ALogP
6
HBA
3
HBD
121.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 4.79 | 4.79 | 16400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 16000.0 | nM | 4.8 | Binding affinity by measuring displacement of [3H]CPP from NMDA receptor in rat ... | - |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 16400.0 | nM | 4.79 | In vitro inhibition of [3H]CNQX binding to Ionotropic glutamate receptor AMPA. | 8648608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8648608 | 10.1021/jm950826p | Glutamate receptor ionotropic, AMPA | 3 |
| 8648608 | 10.1021/jm950826p | Glutamate receptor ionotropic, kainate | 1 |
| - | 10.1016/S0960-894X(00)80035-9 | Glutamate NMDA receptor | 1 |
| - | 10.1016/S0960-894X(00)80035-9 | Glutamate receptor ionotropic, AMPA | 1 |
| - | 10.1016/S0960-894X(00)80035-9 | Glutamate receptor ionotropic, kainate | 1 |
Data from ChEMBL 36 via Core Engine