Compound Detail
CHEMBL145362
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Basic Information
| ChEMBL ID | CHEMBL145362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMKGSMFESCANHT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
212.2
MW (Da)
-1.94
ALogP
6
HBA
3
HBD
107.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 5.78 | 5.435 | 1670.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate [NMDA] receptor | IC50 | = | 1670.0 | nM | 5.78 | Tested in vitro for the affinity against NMDA receptor by examining its ability ... | - |
| Glutamate [NMDA] receptor | IC50 | = | 8200.0 | nM | 5.09 | Tested in vitro for the affinity against NMDA receptor in a cortical wedge assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80089-X | Glutamate [NMDA] receptor | 2 |
| - | 10.1016/S0960-894X(00)80089-X | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine