Compound Detail
CHEMBL545542
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Basic Information
| ChEMBL ID | CHEMBL545542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKQQHCLIVUUEAS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1194040 |
| Active Moiety | CHEMBL1194040 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
439.2
MW (Da)
5.82
ALogP
1
HBA
2
HBD
39.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Ki 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 7.43 | 7.43 | 37.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.4 | 7.4 | 40.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 37.0 | nM | 7.43 | In vitro radioligand binding assay for the N-methyl-D-aspartate glutamate recept... | 9435897 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 40.2 | nM | 7.4 | Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-... | 9435897 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435897 | 10.1021/jm970459c | Glutamate NMDA receptor | 1 |
| 9435897 | 10.1021/jm970459c | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine