Compound Detail
CHEMBL570795
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 | CHEMBL570795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBKITGWWLXUSCG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
323.5
MW (Da)
5.01
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.78
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.24
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 10.24 | 10.24 | 0.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.24 | 7.24 | 57.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.05754 | nM | 10.24 | Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell me... | 20067271 |
| Unchecked | Ki | = | 57.54 | nM | 7.24 | Displacement of [3H]DTG from sigma2 receptor in rat cerebral cortex cell membran... | 20067271 |
| Unchecked | IC50 | = | 8400.0 | nM | 5.08 | Antagonist activity at sigma2 receptor in guinea pig ileum longitudinal muscle a... | 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 |
| 20067271 | 10.1021/jm901542q | NON-PROTEIN TARGET | 1 |
| 20067271 | 10.1021/jm901542q | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine