Compound Detail
CHEMBL406081
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Basic Information
| ChEMBL ID | CHEMBL406081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQBLPRIQIPGWFI-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.6
MW (Da)
4.18
ALogP
5
HBA
0
HBD
28.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.61 | 8.61 | 2.4 | 3 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 8.3 | 8.3 | 5.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2.44 | nM | 8.61 | Displacement of [3H]DTG from opioid sigma2 receptor in rat brain homogenate | 18278854 |
| Unchecked | Ki | = | 2.44 | nM | 8.61 | Receptor Assay: Compounds were evaluated for σ-1 and σ-2 binding in rat brain ho... | - |
| Unchecked | Ki | = | 2.44 | nM | 8.61 | Receptor Assay: Compounds were evaluated for σ-1 and σ-2 binding in rat brain ho... | - |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 4.98 | nM | 8.3 | Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain hom... | 18278854 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 4.98 | nM | 8.3 | Receptor Assay: Compounds were evaluated for σ-1 and σ-2 binding in rat brain ho... | - |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 4.98 | nM | 8.3 | Receptor Assay: Compounds were evaluated for σ-1 and σ-2 binding in rat brain ho... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18278854 | 10.1021/jm701357m | Unchecked | 2 |
| 18278854 | 10.1021/jm701357m | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine