Compound Detail
CHEMBL148276
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Basic Information
| ChEMBL ID | CHEMBL148276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQVOKKPXXIWBKQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.64
ALogP
3
HBA
0
HBD
36.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.81 | 8.81 | 1.5 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.81 | 8.81 | 1.5 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 5.8 | 5.8 | 1590.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 5.8 | 5.8 | 1590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.54 | nM | 8.81 | Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of gui... | 12383018 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.54 | nM | 8.81 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 33310287 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1590.0 | nM | 5.8 | Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazoci... | 12383018 |
| Sigma intracellular receptor 2 | Ki | = | 1590.0 | nM | 5.8 | Displacement of [3H]DTG from sigma 2 receptor in Sprague-Dawley rat liver membra... | 33310287 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12383018 | 10.1021/jm020889p | Sigma non-opioid intracellular receptor 1 | 2 |
| 12383018 | 10.1021/jm020889p | Unchecked | 1 |
| 33310287 | 10.1016/j.ejmech.2020.113073 | Sigma non-opioid intracellular receptor 1 | 1 |
| 33310287 | 10.1016/j.ejmech.2020.113073 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine