Compound Detail
CHEMBL3397613
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Basic Information
| ChEMBL ID | CHEMBL3397613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWBFWLNQDSLDMW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.9
MW (Da)
4.00
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.11 | 8.11 | 7.7 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 7.7 | nM | 8.11 | Displacement of (+)-[3H]pentazocine from guinea pig brain cortex sigma1 receptor... | 25528334 |
| Unchecked | Ki | = | 1800.0 | nM | 5.75 | Displacement of [3H]DTG from rat liver sigma2 receptor by scintillation analyzer | 25528334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25528334 | 10.1016/j.ejmech.2014.12.018 | Unchecked | 3 |
| 25528334 | 10.1016/j.ejmech.2014.12.018 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine