Compound Detail
CHEMBL227071
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Basic Information
| ChEMBL ID | CHEMBL227071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBJDJJAQQGIHMG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
586.4
MW (Da)
4.23
ALogP
6
HBA
1
HBD
69.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.59 | 9.59 | 0.3 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 5.67 | 5.67 | 2150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.26 | nM | 9.59 | Displacement of [3H]DTG from sigma 2 receptor in rat liver membrane after 120 mi... | 17579383 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2150.0 | nM | 5.67 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 17579383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17579383 | 10.1021/jm0614883 | Unchecked | 2 |
| 17579383 | 10.1021/jm0614883 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine