Compound Detail
CHEMBL1927694
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Basic Information
| ChEMBL ID | CHEMBL1927694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFAYVRCYAYPGHT-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
3.19
ALogP
7
HBA
1
HBD
103.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.57 | 7.57 | 26.8 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 4.99 | 4.99 | 10320.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 4.99 | 4.99 | 10320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 26.78 | nM | 7.57 | Displacement of [3H]ditolylguanidine from sigma 2 receptor in rat liver membrane... | 22055714 |
| Unchecked | Ki | = | 26.8 | nM | 7.57 | Binding affinity to sigma-2 opioid receptor (unknown origin) | 23734634 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 10320.0 | nM | 4.99 | Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat liver membrane ... | 22055714 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 10320.0 | nM | 4.99 | Binding affinity to sigma-1 opioid receptor (unknown origin) | 23734634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22055714 | 10.1016/j.bmc.2011.10.046 | Unchecked | 2 |
| 23734634 | 10.1021/jm301545c | Unchecked | 2 |
| 22055714 | 10.1016/j.bmc.2011.10.046 | Sigma non-opioid intracellular receptor 1 | 1 |
| 23734634 | 10.1021/jm301545c | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine