Compound Detail
CHEMBL2115546
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Basic Information
| ChEMBL ID | CHEMBL2115546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWMGGKFMOJLPMT-LLVKDONJSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
285.2
MW (Da)
0.51
ALogP
3
HBA
4
HBD
106.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.29 | 5.175 | 5100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 270.0 | nM | 6.57 | Tested for the inhibitory activity against NMDA receptor site as measured in a [... | - |
| Unchecked | IC50 | = | 5100.0 | nM | 5.29 | Tested for the NMDA antagonist activity, glutamate induced calcium influx in cul... | - |
| Unchecked | IC50 | = | 8800.0 | nM | 5.06 | Tested for the NMDA antagonist activity, glutamate induced LDH release in cultur... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80088-8 | Mus musculus | 4 |
| - | 10.1016/S0960-894X(00)80088-8 | ADMET | 2 |
| - | 10.1016/S0960-894X(00)80088-8 | Unchecked | 2 |
| - | 10.1016/S0960-894X(00)80088-8 | No relevant target | 1 |
| - | 10.1016/S0960-894X(00)80088-8 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine