Compound Detail
CHEMBL1196613
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Basic Information
| ChEMBL ID | CHEMBL1196613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCUGJWBVZNWAIJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
169.2
MW (Da)
1.72
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.37 | 6.37 | 428.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 5.92 | 5.77 | 1200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 428.0 | nM | 6.37 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain me... | 33007549 |
| Sigma intracellular receptor 2 | Ki | = | 1200.0 | nM | 5.92 | Displacement of [3H]-di-o-tolylguanidine from Sigma 2 receptor in rat liver memb... | 33007549 |
| Sigma intracellular receptor 2 | Ki | = | 2400.0 | nM | 5.62 | Displacement of [3H]-di-o-tolylguanidine from Sigma 2 receptor in rat liver memb... | 33007549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33007549 | 10.1016/j.bmc.2020.115726 | Sigma non-opioid intracellular receptor 1 | 2 |
| 33007549 | 10.1016/j.bmc.2020.115726 | Sigma intracellular receptor 2 | 2 |
| 33007549 | 10.1016/j.bmc.2020.115726 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine