Compound Detail
CHEMBL5427817
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Basic Information
| ChEMBL ID | CHEMBL5427817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFYSYWUJTWNVLA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
5.32
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 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 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 8.0 | 8.0 | 9.9 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.12 | 7.12 | 76.1 | 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 [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 37418295 |
| Sigma intracellular receptor 2 | Ki | = | 9.9 | nM | 8.0 | Displacement of [3H]DTG from sigma 2 receptor in Sprague-Dawley rat liver assess... | 37418295 |
| Histamine H3 receptor | Ki | = | 76.1 | nM | 7.12 | Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 r... | 37418295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37418295 | 10.1021/acs.jmedchem.3c00430 | Sigma non-opioid intracellular receptor 1 | 1 |
| 37418295 | 10.1021/acs.jmedchem.3c00430 | Histamine H3 receptor | 1 |
| 37418295 | 10.1021/acs.jmedchem.3c00430 | Sigma intracellular receptor 2 | 1 |
| 37418295 | 10.1021/acs.jmedchem.3c00430 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine