Compound Detail
CHEMBL231638
2-EPI-2-THIOSALVINORIN B Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COC(=O)[C@@H]1C[C@@H](S)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
Basic Information
| ChEMBL ID | CHEMBL231638 |
| Name | 2-EPI-2-THIOSALVINORIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGNBKFTYZQINBO-ZNKMMSAYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
3.37
ALogP
7
HBA
1
HBD
82.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3614 | Ki | 6.26 | 6.26 | 546.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 546.0 | nM | 6.26 | Displacement of [3H]U-69593 from rat cloned KOR | 17303418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17303418 | 10.1016/j.bmcl.2007.01.100 | Kappa-type opioid receptor | 3 |
Data from ChEMBL 36 via Core Engine