Compound Detail
CHEMBL606891
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
Basic Information
| ChEMBL ID | CHEMBL606891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRVCKDDOBWKXRT-LEWJYISDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.5
MW (Da)
4.32
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 5.59 | 5.59 | 2593.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 2593.0 | nM | 5.59 | Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand | 2172538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2172538 | 10.1021/jm00173a030 | Kappa-type opioid receptor | 2 |
| 2172538 | 10.1021/jm00173a030 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine