Compound Detail
CHEMBL226538
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Basic Information
| ChEMBL ID | CHEMBL226538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCUNRRPIPHCZFN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
539.4
MW (Da)
4.39
ALogP
6
HBA
1
HBD
69.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.41 | 6.41 | 386.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 4.82 | 4.82 | 15300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 386.0 | nM | 6.41 | Displacement of [3H]DTG from sigma 2 receptor in rat liver membrane after 120 mi... | 17579383 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 15300.0 | nM | 4.82 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 17579383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17579383 | 10.1021/jm0614883 | Unchecked | 2 |
| 17579383 | 10.1021/jm0614883 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine