Compound Detail
CHEMBL3740945
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Basic Information
| ChEMBL ID | CHEMBL3740945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKJLUDDUQKUINH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
4.25
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.91 | 7.91 | 12.4 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 7.78 | 7.78 | 16.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 12.4 | nM | 7.91 | Displacement of [3H]-DTG from sigma 2 receptor in rat liver membrane by competit... | - |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 16.6 | nM | 7.78 | Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in rat brain by compe... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00079C | Unchecked | 2 |
| - | 10.1039/C5MD00079C | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine