Compound Detail
CHEMBL417544
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Basic Information
| ChEMBL ID | CHEMBL417544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUWJPVLEOLACPU-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
267.7
MW (Da)
2.54
ALogP
2
HBA
3
HBD
90.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.85 | 4.63 | 14000.0 | 5 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 14000.0 | nM | 4.85 | Activity against rat cortical and hippocampal membrane strychnine-insensitive N-... | 2146391 |
| Glutamate NMDA receptor | IC50 | = | 23000.0 | nM | 4.64 | Ability to compete with [3H]glycine for strychnine-insensitive binding sites on ... | 1534125 |
| Glutamate NMDA receptor | IC50 | = | 25000.0 | nM | 4.6 | Activity against rat cortical and hippocampal membrane N-methyl-D-aspartate glut... | 2146391 |
| NON-PROTEIN TARGET | IC50 | = | 25000.0 | nM | 4.6 | Ability to compete with [3H]CCP for rat cortical and hippocampal membrane glutam... | 1534125 |
| Glutamate NMDA receptor | IC50 | = | 25000.0 | nM | 4.6 | Displacement of [3H]glycine from NMDA receptor in rat cortical and hippocampal m... | 30048589 |
| Glutamate NMDA receptor | IC50 | = | 35000.0 | nM | 4.46 | Displacement of [3H]CCP from NMDA receptor glutamate binding site in rat cortica... | 30048589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2146391 | 10.1021/jm00173a003 | Glutamate NMDA receptor | 3 |
| 1534125 | 10.1021/jm00088a014 | Glutamate NMDA receptor | 2 |
| 22281190 | 10.1016/j.bmcl.2011.12.138 | Kynurenine--oxoglutarate transaminase 1 | 2 |
| 30048589 | 10.1021/acs.jmedchem.7b01768 | Uracil nucleotide/cysteinyl leukotriene receptor | 2 |
| 30048589 | 10.1021/acs.jmedchem.7b01768 | Glutamate NMDA receptor | 2 |
| 1534125 | 10.1021/jm00088a014 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine