Compound Detail
CHEMBL511587
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Basic Information
| ChEMBL ID | CHEMBL511587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZHIOJKJMMKWEY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
3.99
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.02 | 6.02 | 946.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.79 | nM | 9.1 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 19394833 |
| Unchecked | Ki | = | 946.0 | nM | 6.02 | 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 |
| 19394833 | 10.1016/j.bmc.2009.03.060 | Sigma non-opioid intracellular receptor 1 | 1 |
| 19394833 | 10.1016/j.bmc.2009.03.060 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine