Compound Detail
CHEMBL5186843
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Basic Information
| ChEMBL ID | CHEMBL5186843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJHCPONPWOJWKR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
4.09
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.98 | 6.98 | 104.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 6.97 | 6.97 | 106.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.46 | 5.46 | 3433.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 104.0 | nM | 6.98 | Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition con... | 35724925 |
| Sigma intracellular receptor 2 | Ki | = | 106.0 | nM | 6.97 | Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition con... | 35724925 |
| Mu-type opioid receptor | Ki | = | 3433.0 | nM | 5.46 | Binding affinity to MOR (unknown origin) assessed as inhibition constant by radi... | 35724925 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35724925 | 10.1016/j.bmcl.2022.128860 | Sigma non-opioid intracellular receptor 1 | 1 |
| 35724925 | 10.1016/j.bmcl.2022.128860 | Sigma intracellular receptor 2 | 1 |
| 35724925 | 10.1016/j.bmcl.2022.128860 | Unchecked | 1 |
| 35724925 | 10.1016/j.bmcl.2022.128860 | Mu-type opioid receptor | 1 |
| 35724925 | 10.1016/j.bmcl.2022.128860 | Delta-type opioid receptor | 1 |
| 35724925 | 10.1016/j.bmcl.2022.128860 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine