Compound Detail
CHEMBL141743
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Basic Information
| ChEMBL ID | CHEMBL141743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTBOOSJKGKNIKI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.5
MW (Da)
3.77
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.18 | 8.18 | 6.6 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.07 | nM | 8.68 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 33310287 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 6.64 | nM | 8.18 | Sigma opioid receptor type 1 affinity in guinea pig brain by employing [3H](+)-p... | 11784148 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 410.0 | nM | 6.39 | Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguani... | 11784148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11784148 | 10.1021/jm010992z | Sigma non-opioid intracellular receptor 1 | 3 |
| 33310287 | 10.1016/j.ejmech.2020.113073 | Sigma non-opioid intracellular receptor 1 | 1 |
| 33310287 | 10.1016/j.ejmech.2020.113073 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine