Compound Detail
CHEMBL4797610
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Basic Information
| ChEMBL ID | CHEMBL4797610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQNBUPOAUOHVIP-PZJWPPBQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
4.19
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.02 | 7.02 | 95.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 95.0 | nM | 7.02 | Displacement of [3H]-pentazocine from guinea pig brain sigma 1 receptor incubate... | 34046612 |
| Sigma intracellular receptor 2 | Ki | = | 340.0 | nM | 6.47 | Displacement of [3H]-DTG from Sprague-Dawley rat liver sigma 2 receptor incubate... | 34046612 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34046612 | 10.1039/d0md00307g | Sigma non-opioid intracellular receptor 1 | 1 |
| 34046612 | 10.1039/d0md00307g | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine