Compound Detail
CHEMBL76758
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Basic Information
| ChEMBL ID | CHEMBL76758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVHNNUAZUKDSIT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
354.6
MW (Da)
5.23
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.65
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 10.44 | 10.44 | 0.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 10.44 | 10.44 | 0.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 7.84 | 7.84 | 14.6 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 7.84 | 7.84 | 14.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.036 | nM | 10.44 | In vitro binding affinity at opioid sigma-1 receptor in guinea pig brain membran... | 15084129 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.036 | nM | 10.44 | Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membra... | 28764962 |
| Sigma 2 receptor | Ki | = | 14.6 | nM | 7.84 | In vitro binding affinity at opioid sigma-2 receptor in rat liver membranes by [... | 15084129 |
| Sigma intracellular receptor 2 | Ki | = | 14.6 | nM | 7.84 | Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence... | 28764962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084129 | 10.1021/jm031026e | Sigma non-opioid intracellular receptor 1 | 2 |
| 15084129 | 10.1021/jm031026e | Sigma 2 receptor | 1 |
| 15084129 | 10.1021/jm031026e | Adrenergic receptor alpha-1 | 1 |
| 15084129 | 10.1021/jm031026e | Serotonin 3 (5-HT3) receptor | 1 |
| 28764962 | 10.1016/j.bmc.2017.07.027 | Sigma non-opioid intracellular receptor 1 | 1 |
| 28764962 | 10.1016/j.bmc.2017.07.027 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine