Compound Detail
CHEMBL4090896
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Basic Information
| ChEMBL ID | CHEMBL4090896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUTQUDZTMHWKRE-INIZCTEOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
260.4
MW (Da)
3.38
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 9.21 | 9.21 | 0.6 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 6.56 | 6.56 | 276.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.61 | nM | 9.21 | Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membra... | 28764962 |
| Sigma intracellular receptor 2 | Ki | = | 276.0 | nM | 6.56 | Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes after 120 m... | 28764962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28764962 | 10.1016/j.bmc.2017.07.027 | C-8 sterol isomerase ERG2 | 8 |
| 28764962 | 10.1016/j.bmc.2017.07.027 | Unchecked | 2 |
| 28764962 | 10.1016/j.bmc.2017.07.027 | Sigma non-opioid intracellular receptor 1 | 1 |
| 28764962 | 10.1016/j.bmc.2017.07.027 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine