Compound Detail
CHEMBL4524083
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Basic Information
| ChEMBL ID | CHEMBL4524083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXWRZTFTXANPNG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4595774 |
| Active Moiety | CHEMBL4595774 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
4.24
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 8.57 | 8.57 | 2.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 2.7 | nM | 8.57 | Affinity against 3[H]TCP binding to N-methyl-D-aspartate glutamate receptor in r... | 7658445 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658445 | 10.1021/jm00018a018 | Glutamate NMDA receptor | 1 |
| 7658445 | 10.1021/jm00018a018 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine