Compound Detail
CHEMBL39943
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Basic Information
| ChEMBL ID | CHEMBL39943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMJXNJCKUQRUHZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
313.2
MW (Da)
0.52
ALogP
5
HBA
4
HBD
138.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.28 | 5.225 | 5200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 5200.0 | nM | 5.28 | Displacement of [3H]CPP from rat synaptic membrane glutamate NMDA receptor | 11334562 |
| Glutamate NMDA receptor | IC50 | = | 6800.0 | nM | 5.17 | Displacement of [3H]CPP from rat synaptic membrane glutamate NMDA receptor | 11334562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11334562 | 10.1021/jm000385w | Glutamate NMDA receptor | 4 |
| 11334562 | 10.1021/jm000385w | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine