Compound Detail
CHEMBL313723
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Basic Information
| ChEMBL ID | CHEMBL313723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGPAETJPPMBYGW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
2.34
ALogP
4
HBA
3
HBD
65.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 33000.0 | nM | 4.48 | Binding affinity against N-methyl-D-aspartate glutamate receptor using [3H]25-69... | 12182873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12182873 | 10.1016/s0960-894x(02)00470-5 | Glutamate NMDA receptor | 1 |
| 12182873 | 10.1016/s0960-894x(02)00470-5 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine