Compound Detail
CHEMBL332701
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Basic Information
| ChEMBL ID | CHEMBL332701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIGPAXROBLPQJS-QGZVFWFLSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
2.97
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.04 | 8.04 | 9.2 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.0 | 7.875 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 1.6 | nM | 8.8 | Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition con... | 35939391 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 9.2 | nM | 8.04 | Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition con... | 35939391 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 10.0 | nM | 8.0 | Binding affinity towards 5-hydroxytryptamine 7 receptor (a) (human cloned recept... | 10669560 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 18.0 | nM | 7.75 | Binding affinity to 5-HT7 receptor (unknown origin) assessed as inhibition const... | 35939391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 2C | 1 |
| 35939391 | 10.1021/acs.jmedchem.2c00633 | Sigma intracellular receptor 2 | 1 |
| 35939391 | 10.1021/acs.jmedchem.2c00633 | Sigma non-opioid intracellular receptor 1 | 1 |
| 35939391 | 10.1021/acs.jmedchem.2c00633 | 5-hydroxytryptamine receptor 7 | 1 |
| 10669560 | 10.1021/jm991151j | D(3) dopamine receptor | 1 |
| 10669560 | 10.1021/jm991151j | D(2) dopamine receptor | 1 |
| 10669560 | 10.1021/jm991151j | Alpha-1B adrenergic receptor | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 5A | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 4 | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 6 | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 2B | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 2A | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1F | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1E | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1D | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1B | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 1A | 1 |
| 10669560 | 10.1021/jm991151j | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine