Compound Detail
CHEMBL178042
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Basic Information
| ChEMBL ID | CHEMBL178042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REGUBJAOYCGJDZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
470.7
MW (Da)
7.33
ALogP
3
HBA
0
HBD
8.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 9.85 | 8.655 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 0.14 | nM | 9.85 | Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as rad... | 7783132 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 35.0 | nM | 7.46 | Compound was evaluated for the binding affinity towards Sigma receptor type 1 us... | 7783132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783132 | 10.1021/jm00011a020 | Sigma non-opioid intracellular receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine