Compound Detail
CHEMBL3594080
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Basic Information
| ChEMBL ID | CHEMBL3594080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJLWPLYRXQWLMO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
2.61
ALogP
4
HBA
4
HBD
106.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.94 | 5.28 | 1140.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 1140.0 | nM | 5.94 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 9160.0 | nM | 5.04 | Displacement of [3H]-ifenprodil from rat cortical membranes NMDA receptor by bet... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 13800.0 | nM | 4.86 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26117647 | 10.1016/j.bmc.2015.06.012 | Glutamate NMDA receptor | 4 |
Data from ChEMBL 36 via Core Engine