Compound Detail
CHEMBL418204
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Basic Information
| ChEMBL ID | CHEMBL418204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPNXSABCIFWCDQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
259.2
MW (Da)
0.32
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.55 | 5.5033 | 2800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 2800.0 | nM | 5.55 | Ability to displace [3H]CPP from NMDA receptor in rat brain membrane | 1533422 |
| Glutamate NMDA receptor | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of NMDA receptor binding using [3H]CPP as radioligand | 7783127 |
| Glutamate NMDA receptor | IC50 | = | 3300.0 | nM | 5.48 | Displacement of [3H]CPP from N-methyl-D-aspartate glutamate receptor in rat brai... | 1533422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1386112 | 10.1021/jm00092a005 | Mus musculus | 2 |
| 2544728 | 10.1021/jm00127a030 | Glutamate NMDA receptor | 2 |
| 1533422 | 10.1021/jm00086a004 | Glutamate NMDA receptor | 2 |
| 7783127 | 10.1021/jm00011a015 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine