Compound Detail
CHEMBL514488
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Basic Information
| ChEMBL ID | CHEMBL514488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWTZBSANBASDDR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
4.12
ALogP
4
HBA
0
HBD
38.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 7.52 | 7.52 | 30.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 6.73 | 6.73 | 187.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 30.0 | nM | 7.52 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat liver membrane | 18440098 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 30.2 | nM | 7.52 | Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane b... | 19673530 |
| Unchecked | Ki | = | 187.0 | nM | 6.73 | Displacement of [3H]DTG from sigma 2 receptor in rat liver membrane | 18440098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18440098 | 10.1016/j.ejmech.2008.03.011 | Unchecked | 2 |
| 18440098 | 10.1016/j.ejmech.2008.03.011 | Sigma non-opioid intracellular receptor 1 | 1 |
| 19673530 | 10.1021/jm900366z | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine