Compound Detail
CHEMBL128442
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Basic Information
| ChEMBL ID | CHEMBL128442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAJILYYYWBUWHZ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
299.5
MW (Da)
5.40
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.16
Ki 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 9.16 | 9.16 | 0.7 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Sigma 2 receptor CHEMBL613288 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 0.69 | nM | 9.16 | Evaluated for the binding affinity towards sigma 1 receptor by displacing the ra... | 9767631 |
| Adrenergic receptor alpha-1 | Ki | = | 0.8 | nM | 9.1 | Binding affinity was tested on Alpha-1 adrenergic receptor using radioligand [3H... | 8863803 |
| Sigma 2 receptor | IC50 | = | 5.5 | nM | 8.26 | Evaluated for the binding affinity towards sigma 2 receptor by displacing the ra... | 9767631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9767631 | 10.1021/jm970692a | Sigma non-opioid intracellular receptor 1 | 2 |
| 9767631 | 10.1021/jm970692a | Sigma 2 receptor | 1 |
| 8863803 | 10.1021/jm9508898 | Adrenergic receptor alpha-1 | 1 |
| 8863803 | 10.1021/jm9508898 | 5-hydroxytryptamine receptor 1A | 1 |
| 8863803 | 10.1021/jm9508898 | Glutamate NMDA receptor | 1 |
| 8863803 | 10.1021/jm9508898 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine