Compound Detail
CHEMBL4749981
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Basic Information
| ChEMBL ID | CHEMBL4749981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRTQLIULUQYXGU-GGAORHGYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
5.17
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.74
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 6.84 | 6.84 | 144.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membra... | 33148494 |
| Sigma intracellular receptor 2 | Ki | = | 144.0 | nM | 6.84 | Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membr... | 33148494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33148494 | 10.1016/j.ejmech.2020.112950 | Sigma non-opioid intracellular receptor 1 | 1 |
| 33148494 | 10.1016/j.ejmech.2020.112950 | Unchecked | 1 |
| 33148494 | 10.1016/j.ejmech.2020.112950 | DU-145 | 1 |
| 33148494 | 10.1016/j.ejmech.2020.112950 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine