Compound Detail
CHEMBL281619
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Basic Information
| ChEMBL ID | CHEMBL281619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHJVAVYZOZXLHF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
4.60
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.22 | 8.115 | 6.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 6.0 | nM | 8.22 | Inhibition of [3H]DTG binding to Sigma opioid receptor | 1648139 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 9.7 | nM | 8.01 | Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3... | 8164264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1648139 | 10.1021/jm00110a015 | Sigma non-opioid intracellular receptor 1 | 1 |
| 8164264 | 10.1021/jm00034a020 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine