Compound Detail
CHEMBL441967
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Basic Information
| ChEMBL ID | CHEMBL441967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZXAPXLCDBCUAI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.8
MW (Da)
2.44
ALogP
6
HBA
3
HBD
127.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.82 | 5.575 | 150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 150.0 | nM | 6.82 | Displacement of [3H]CPP from rat synaptic membrane glutamate NMDA receptor | 11334562 |
| Glutamate NMDA receptor | IC50 | = | 46500.0 | nM | 4.33 | Affinity for the NMDA receptor site was assessed by its ability to displace [3H]... | 11334562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11334562 | 10.1021/jm000385w | Glutamate NMDA receptor | 2 |
| 11334562 | 10.1021/jm000385w | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine