Compound Detail
CHEMBL4077547
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Basic Information
| ChEMBL ID | CHEMBL4077547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMXAKFKRYBIZNH-ISKFKSNPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.50
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 6.28 | 6.28 | 525.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 33.0 | nM | 7.48 | Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain m... | 28501431 |
| Sigma intracellular receptor 2 | Ki | = | 525.0 | nM | 6.28 | Displacement of [3H]DTG from sigma-2 receptor in rat liver membranes after 120 m... | 28501431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28501431 | 10.1016/j.bmc.2017.04.042 | Unchecked | 2 |
| 28501431 | 10.1016/j.bmc.2017.04.042 | Sigma non-opioid intracellular receptor 1 | 1 |
| 28501431 | 10.1016/j.bmc.2017.04.042 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine