Compound Detail
CHEMBL420557
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Basic Information
| ChEMBL ID | CHEMBL420557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOKQBQVZTUFFBV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.2
MW (Da)
3.98
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.92 | 8.9 | 1.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.19 | nM | 8.92 | Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pen... | 1319493 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.32 | nM | 8.88 | Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-P... | 1319493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1319493 | 10.1021/jm00090a012 | Sigma non-opioid intracellular receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine