Compound Detail
CHEMBL431998
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Basic Information
| ChEMBL ID | CHEMBL431998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZFMJVJDSYRWDQ-BBIVZNJYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
-1.78
ALogP
4
HBA
4
HBD
112.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.62 | 4.62 | 23730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 23730.0 | nM | 4.62 | Affinity value against N-methyl-D-aspartate (NMDA) receptor using [3H]-CGS- 1975... | 8709133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709133 | 10.1021/jm9601765 | Glutamate NMDA receptor | 1 |
| 8709133 | 10.1021/jm9601765 | Glutamate receptor ionotropic, AMPA | 1 |
| 8709133 | 10.1021/jm9601765 | Glutamate receptor ionotropic, kainate | 1 |
| 8709133 | 10.1021/jm9601765 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine