Compound Detail
CHEMBL570789
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 | CHEMBL570789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWLYRCBLFWFPHN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
4.46
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 9.36 | 9.36 | 0.4 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.85 | 7.85 | 14.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.4365 | nM | 9.36 | Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell me... | 20067271 |
| Unchecked | Ki | = | 14.13 | nM | 7.85 | Displacement of [3H]DTG from sigma2 receptor in rat cerebral cortex cell membran... | 20067271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20067271 | 10.1021/jm901542q | Unchecked | 3 |
| 20067271 | 10.1021/jm901542q | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine