Compound Detail
CHEMBL1215856
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Basic Information
| ChEMBL ID | CHEMBL1215856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDSYECBSUUOPCT-QPPBQGQZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
3.41
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.3 | 7.3 | 50.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.9 | nM | 8.72 | Displacement of [3H](+)-pentazocine from guinea pig sigma1 opioid receptor by li... | 20684615 |
| Unchecked | Ki | = | 50.2 | nM | 7.3 | Displacement of [3H]-DTG from sigma2 opioid receptor by liquid scintillation cou... | 20684615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20684615 | 10.1021/jm100116p | Astrocyte | 2 |
| 20684615 | 10.1021/jm100116p | Sigma non-opioid intracellular receptor 1 | 1 |
| 20684615 | 10.1021/jm100116p | Unchecked | 1 |
| 20684615 | 10.1021/jm100116p | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine