Compound Detail
CHEMBL2391063
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Basic Information
| ChEMBL ID | CHEMBL2391063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBDXZPXLPLIEJJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.47
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.16 | 7.16 | 68.7 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.74 | 6.74 | 181.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 68.7 | nM | 7.16 | Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea... | 23680866 |
| Unchecked | Ki | = | 181.0 | nM | 6.74 | Displacement of [3H]DTG from sigma2 receptor in Sprague-Dawley rat liver membran... | 23680866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23680866 | 10.1016/j.ejmech.2013.04.013 | Unchecked | 2 |
| 23680866 | 10.1016/j.ejmech.2013.04.013 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine