Compound Detail
CHEMBL307628
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Basic Information
| ChEMBL ID | CHEMBL307628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEMOQKNIQDRANN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
4.04
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 7.41 | 7.41 | 39.0 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 6.01 | 6.01 | 981.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.92 | 5.92 | 1189.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.51 | 5.51 | 3110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 39.0 | nM | 7.41 | Tested for its binding affinity towards sigma-1 site in rat brain using E3H1-(+)... | 8057277 |
| Sigma 2 receptor | Ki | = | 981.0 | nM | 6.01 | Tested for its binding affinity towards sigma-2 site in rat brain using [3H]DTG ... | 8057277 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 1189.0 | nM | 5.92 | Binding affinity towards muscarinic m2 receptor | 8057277 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 3110.0 | nM | 5.51 | Binding affinity towards muscarinic m1 receptor | 8057277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057277 | 10.1021/jm00041a006 | Sigma non-opioid intracellular receptor 1 | 2 |
| 8057277 | 10.1021/jm00041a006 | Sigma 2 receptor | 1 |
| 8057277 | 10.1021/jm00041a006 | Glutamate NMDA receptor | 1 |
| 8057277 | 10.1021/jm00041a006 | Muscarinic acetylcholine receptor M1 | 1 |
| 8057277 | 10.1021/jm00041a006 | Muscarinic acetylcholine receptor M2 | 1 |
| 8057277 | 10.1021/jm00041a006 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine