Compound Detail
CHEMBL343793
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Basic Information
| ChEMBL ID | CHEMBL343793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZXNEAPKBXXMQP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
3.35
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.67 | 7.67 | 21.3 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 5.84 | 5.84 | 1460.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.84 | 5.84 | 1460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 21.0 | nM | 7.68 | Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain me... | 23462714 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 21.3 | nM | 7.67 | Sigma opioid receptor type 1 affinity in guinea pig brain by employing [3H](+)-p... | 11784148 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1460.0 | nM | 5.84 | Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguani... | 11784148 |
| Unchecked | Ki | = | 1460.0 | nM | 5.84 | Displacement of [3H]-di-o-tolylguanidine from sigma 2 receptor in rat liver memb... | 23462714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11784148 | 10.1021/jm010992z | Sigma non-opioid intracellular receptor 1 | 3 |
| 23462714 | 10.1016/j.bmc.2013.01.038 | Unchecked | 2 |
| 23462714 | 10.1016/j.bmc.2013.01.038 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine