Compound Detail
CHEMBL415462
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Basic Information
| ChEMBL ID | CHEMBL415462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYXDPTRRENXVKB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
267.7
MW (Da)
2.24
ALogP
3
HBA
2
HBD
79.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Ki 1 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 5.81 | 5.81 | 1560.0 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 5.75 | 5.75 | 1780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 1560.0 | nM | 5.81 | Inhibition of strychnine-insensitive [3H]glycine binding to the N-methyl-D-aspar... | 1849994 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 1780.0 | nM | 5.75 | Inhibition of [3H]L-689,560 binding to Glycine site of NMDA receptor of rat cort... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80444-8 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 1849994 | 10.1021/jm00108a007 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine