Compound Detail
CHEMBL45951
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Basic Information
| ChEMBL ID | CHEMBL45951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTPAXDRULIZRDJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.9
MW (Da)
3.67
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.17 | 7.17 | 67.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 67.5 | nM | 7.17 | Binding affinity to sigma-2 opioid receptor (unknown origin) | 23734634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23734634 | 10.1021/jm301545c | Unchecked | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 23734634 | 10.1021/jm301545c | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine