Compound Detail
CHEMBL260826
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Basic Information
| ChEMBL ID | CHEMBL260826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPZPEBWJFYVOEI-SLQSYFLNSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
386.3
MW (Da)
4.89
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.91 | 7.91 | 12.3 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.26 | 6.26 | 544.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 12.3 | nM | 7.91 | Displacement of [3H]-DTG from sigma 2 receptor in rat liver membranes after 120 ... | 27614411 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 544.0 | nM | 6.26 | Displacement of [3H](+)pentazocine from sigma 1 receptor in guinea pig brain cor... | 27614411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27614411 | 10.1016/j.ejmech.2016.08.067 | NON-PROTEIN TARGET | 6 |
| 18324757 | 10.1021/jm700961r | Unchecked | 1 |
| 27614411 | 10.1016/j.ejmech.2016.08.067 | Sigma non-opioid intracellular receptor 1 | 1 |
| 27614411 | 10.1016/j.ejmech.2016.08.067 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine