Compound Detail
CHEMBL3298974
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Basic Information
| ChEMBL ID | CHEMBL3298974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWPBDGYOXWSANE-INIZCTEOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.5
MW (Da)
5.07
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.76
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.55 | 8.55 | 2.8 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.46 | 6.46 | 343.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.8 | nM | 8.55 | Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex ... | 24996139 |
| Unchecked | Ki | = | 343.0 | nM | 6.46 | Displacement of (+)-DTG from sigma2 receptor in rat liver membrane by scintillat... | 24996139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24996139 | 10.1016/j.ejmech.2014.06.054 | Unchecked | 2 |
| 24996139 | 10.1016/j.ejmech.2014.06.054 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine