Compound Detail
CHEMBL577956
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Basic Information
| ChEMBL ID | CHEMBL577956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZLZCDCUAKDKPZ-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
3.32
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.64 | 8.64 | 2.3 | 3 |
| Unchecked CHEMBL612545 | Ki | 5.99 | 5.99 | 1020.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.3 | nM | 8.64 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain af... | 19709783 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.3 | nM | 8.64 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain me... | 22578786 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.3 | nM | 8.64 | Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain c... | 24913984 |
| Unchecked | Ki | = | 1020.0 | nM | 5.99 | Displacement of [3H]di-o-tolylguanidine from sigma 2 receptor in rat liver after... | 19709783 |
| Unchecked | Ki | = | 1020.0 | nM | 5.99 | Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver after... | 22578786 |
| Unchecked | Ki | = | 1020.0 | nM | 5.99 | Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes in presence... | 24913984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19709783 | 10.1016/j.ejmech.2009.07.017 | Unchecked | 2 |
| 22578786 | 10.1016/j.ejmech.2012.04.018 | Unchecked | 2 |
| 24913984 | 10.1016/j.bmc.2014.05.033 | Unchecked | 2 |
| 19709783 | 10.1016/j.ejmech.2009.07.017 | Sigma non-opioid intracellular receptor 1 | 1 |
| 22578786 | 10.1016/j.ejmech.2012.04.018 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 22578786 | 10.1016/j.ejmech.2012.04.018 | Sigma non-opioid intracellular receptor 1 | 1 |
| 24913984 | 10.1016/j.bmc.2014.05.033 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine