Compound Detail
CHEMBL2017959
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Basic Information
| ChEMBL ID | CHEMBL2017959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZVLLKBVCPFKOT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.07
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 5.8 | 5.8 | 1578.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1578.0 | nM | 5.8 | Displacement of [3H]-pentazocine from sigma 1 opioid receptor in rat liver homog... | 24900272 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900272 | 10.1021/ml2001505 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine