Compound Detail
CHEMBL104298
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Basic Information
| ChEMBL ID | CHEMBL104298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIMBGBQTQUNKLP-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
306.1
MW (Da)
4.62
ALogP
3
HBA
2
HBD
53.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.01
Ki 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 7.24 | 7.24 | 57.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.01 | 6.835 | 97.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 57.0 | nM | 7.24 | Ability to displace strychnine-insensitive [3H]glycine binding to N-methyl-D-asp... | 1326635 |
| Glutamate NMDA receptor | IC50 | = | 97.0 | nM | 7.01 | Displacement of [3H]L-689,560 from NMDA receptor glycine site of rat brain membr... | - |
| Glutamate NMDA receptor | IC50 | = | 220.0 | nM | 6.66 | Inhibition of [3H]MK-801 binding to a N-methyl-D-aspartate glutamate receptor in... | 1326635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1326635 | 10.1021/jm00096a019 | Glutamate NMDA receptor | 2 |
| - | 10.1016/S0960-894X(01)80897-0 | Glutamate NMDA receptor | 1 |
| - | 10.1016/S0960-894X(01)80897-0 | Rattus norvegicus | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine