Compound Detail
CHEMBL1189111
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 | CHEMBL1189111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTKJASAPCAYRLB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
2.28
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.17 | 5.67 | 67.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 67.61 | nM | 7.17 | Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain | 23414839 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 67000.0 | nM | 4.17 | Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain | 23414839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23414839 | 10.1016/j.bmcl.2013.01.069 | Sigma non-opioid intracellular receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine