Compound Detail
CHEMBL513470
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 | CHEMBL513470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYMVPXHEVZKMBP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
3.49
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.11 | 8.0133 | 7.7 | 3 |
| Unchecked CHEMBL612545 | Ki | 5.72 | 5.72 | 1920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 7.7 | nM | 8.11 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 19394833 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 7.7 | nM | 8.11 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 20427100 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 15.0 | nM | 7.82 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 20427100 |
| Unchecked | Ki | = | 1920.0 | nM | 5.72 | Displacement of [3H]di-o-tolylguanidine from sigma 2 receptor in rat liver homog... | 19394833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19394833 | 10.1016/j.bmc.2009.03.060 | Unchecked | 2 |
| 20427100 | 10.1016/j.ejmech.2010.03.048 | Sigma non-opioid intracellular receptor 1 | 2 |
| 19394833 | 10.1016/j.bmc.2009.03.060 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine