Compound Detail
CHEMBL336156
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Basic Information
| ChEMBL ID | CHEMBL336156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVPZYWNEINEDRW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
301.7
MW (Da)
3.98
ALogP
4
HBA
2
HBD
62.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.69
Ki 1 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 6.78 | 6.78 | 167.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.69 | 6.69 | 204.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 167.0 | nM | 6.78 | Binding affinity to glycine binding site of NMDA receptor in rat brain | 19586774 |
| Glutamate NMDA receptor | IC50 | = | 204.0 | nM | 6.69 | Affinity for the glycine binding site on rat N-methyl-D-aspartate glutamate rece... | 9406596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9406596 | 10.1021/jm970417o | Albumin | 1 |
| 9406596 | 10.1021/jm970417o | Mus musculus | 1 |
| 9406596 | 10.1021/jm970417o | Glutamate NMDA receptor | 1 |
| 9406596 | 10.1021/jm970417o | No relevant target | 1 |
| 19586774 | 10.1016/j.bmc.2009.06.014 | Glutamate NMDA receptor | 1 |
| 19586774 | 10.1016/j.bmc.2009.06.014 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine