Compound Detail
CHEMBL46326
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Basic Information
| ChEMBL ID | CHEMBL46326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KARHAJNERWKAIT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
420.3
MW (Da)
3.69
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.79 | 8.79 | 1.6 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 7.53 | 7.53 | 29.6 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.2 | 7.2 | 63.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.64 | nM | 8.79 | Binding affinity against sigma-1 receptor in guinea pig brain using [3H](+)-pent... | 8021913 |
| Sigma 2 receptor | Ki | = | 29.6 | nM | 7.53 | Binding affinity against sigma-2 receptor in rat liver using radioligand [3H]DTG... | 8021913 |
| D(2) dopamine receptor | Ki | = | 63.4 | nM | 7.2 | Binding affinity against D-2 dopamine receptor in rat brain membranes using [3H]... | 8021913 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8021913 | 10.1021/jm00038a002 | Sigma non-opioid intracellular receptor 1 | 1 |
| 8021913 | 10.1021/jm00038a002 | Sigma 2 receptor | 1 |
| 8021913 | 10.1021/jm00038a002 | D(2) dopamine receptor | 1 |
| 8021913 | 10.1021/jm00038a002 | Glutamate NMDA receptor | 1 |
| 8021913 | 10.1021/jm00038a002 | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine