Compound Detail
CHEMBL105396
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Basic Information
| ChEMBL ID | CHEMBL105396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJAOIPMPKPYADL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
315.1
MW (Da)
2.74
ALogP
4
HBA
3
HBD
99.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 100.0 | nM | 7.0 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
| Glutamate NMDA receptor | IC50 | = | 100.0 | nM | 7.0 | Binding activity against N-methyl-D-aspartate glutamate receptor in rat brain ho... | 2147957 |
| Unchecked | IC50 | = | 3600.0 | nM | 5.44 | Antagonistic activity against N-methyl-D-aspartate glutamate receptor induced cG... | 2147957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2147957 | 10.1021/jm00174a005 | Glutamate NMDA receptor | 2 |
| 2147957 | 10.1021/jm00174a005 | Unchecked | 2 |
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine