Compound Detail
CHEMBL29255
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Basic Information
| ChEMBL ID | CHEMBL29255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAKQFSOCSAJITO-OWOJBTEDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
209.1
MW (Da)
-0.61
ALogP
3
HBA
4
HBD
106.9
PSA (Ų)
0.26
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.0 | 5.96 | 1000.0 | 2 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.78 | 4.78 | 16700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory activity evaluated by its ability to displace [3H]CPP from rat cortic... | 1533423 |
| Glutamate NMDA receptor | IC50 | = | 1200.0 | nM | 5.92 | Displacement of [3H]CPP from N-methyl-D-aspartate glutamate receptor in rat brai... | 1533422 |
| Rattus norvegicus | IC50 | = | 16700.0 | nM | 4.78 | In vitro antagonist activity by its ability to inhibit glutamate-induced accumul... | 1533423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1533423 | 10.1021/jm00086a005 | Glutamate NMDA receptor | 1 |
| 1533423 | 10.1021/jm00086a005 | Rattus norvegicus | 1 |
| 1533422 | 10.1021/jm00086a004 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine