Compound Detail
CHEMBL1169963
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Basic Information
| ChEMBL ID | CHEMBL1169963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUFFDFRXRYJTGB-JOCHJYFZSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
3.93
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.17 | 7.17 | 68.0 | 2 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 6.29 | 6.29 | 519.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 68.0 | nM | 7.17 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 20427100 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 68.0 | nM | 7.17 | Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain m... | 28501431 |
| Sigma intracellular receptor 2 | Ki | = | 519.0 | nM | 6.29 | Displacement of [3H]DTG from sigma-2 receptor in rat liver membranes after 120 m... | 28501431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28501431 | 10.1016/j.bmc.2017.04.042 | Unchecked | 2 |
| 20427100 | 10.1016/j.ejmech.2010.03.048 | Sigma non-opioid intracellular receptor 1 | 1 |
| 28501431 | 10.1016/j.bmc.2017.04.042 | Sigma non-opioid intracellular receptor 1 | 1 |
| 28501431 | 10.1016/j.bmc.2017.04.042 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine