Compound Detail
CHEMBL143950
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Basic Information
| ChEMBL ID | CHEMBL143950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQCYBWKPUXERHX-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
267.4
MW (Da)
2.45
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.31 | 7.3333 | 4.9 | 3 |
| Sigma 2 receptor CHEMBL613288 | Ki | 6.92 | 6.92 | 119.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.49 | 6.49 | 322.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 4.91 | nM | 8.31 | Displacement of [3H]DTG from rat PC12 cells sigma 2 receptor | 22959245 |
| Sigma 2 receptor | Ki | = | 119.0 | nM | 6.92 | Binding affinity for sigma-2 receptor by displacing [3H]DTG in presence of dextr... | 11814827 |
| Unchecked | Ki | = | 119.0 | nM | 6.92 | Displacement of [3H]di-O-tolylguanidine from rat brain membrane sigma 2 receptor... | 20338757 |
| Unchecked | Ki | = | 170.0 | nM | 6.77 | Displacement of [3H]ditolylguanidine from sigma 2 opioid receptor in rat brain c... | 17988766 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 326.0 | nM | 6.49 | Binding affinity for sigma-1 receptor by displacing [3H]-(+) pentazocine | 11814827 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 322.0 | nM | 6.49 | Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in rat brain ce... | 17988766 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 326.0 | nM | 6.49 | Displacement of [3H](+)-pentazocine from rat brain membrane sigma 1receptor afte... | 20338757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17988766 | 10.1016/j.ejmech.2007.09.026 | Unchecked | 2 |
| 20338757 | 10.1016/j.bmcl.2010.02.087 | Unchecked | 2 |
| 22959245 | 10.1016/j.bmcl.2012.08.046 | Unchecked | 2 |
| 11814827 | 10.1016/s0960-894x(01)00788-0 | Sigma non-opioid intracellular receptor 1 | 1 |
| 11814827 | 10.1016/s0960-894x(01)00788-0 | Sigma 2 receptor | 1 |
| 17988766 | 10.1016/j.ejmech.2007.09.026 | Sigma non-opioid intracellular receptor 1 | 1 |
| 19842660 | 10.1021/jm9007505 | SK-N-SH | 1 |
| 20338757 | 10.1016/j.bmcl.2010.02.087 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine