Compound Detail
CHEMBL2414347
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Basic Information
| ChEMBL ID | CHEMBL2414347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWTZJGJBIRFIML-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
3.33
ALogP
4
HBA
0
HBD
25.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 8.39 | 8.39 | 4.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.75 | 6.75 | 177.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 4.1 | nM | 8.39 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat liver membranes | 23867168 |
| Unchecked | Ki | = | 177.0 | nM | 6.75 | Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes | 23867168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23867168 | 10.1016/j.bmcl.2013.06.032 | Unchecked | 2 |
| 23867168 | 10.1016/j.bmcl.2013.06.032 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine