Compound Detail
CHEMBL330601
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Basic Information
| ChEMBL ID | CHEMBL330601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVXVKULGFQUGIV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
4.18
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.8 | 8.19 | 1.6 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.53 | 6.53 | 295.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.57 | nM | 8.8 | Binding affinity measured on Sigma receptor type 1 from guinea pig brain membran... | 7636860 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 26.4 | nM | 7.58 | Binding affinity measured on Sigma receptor type 1 from guinea pig brain membran... | 7636860 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 295.0 | nM | 6.53 | Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H... | 7636860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636860 | 10.1021/jm00015a022 | Sigma non-opioid intracellular receptor 1 | 4 |
Data from ChEMBL 36 via Core Engine