Compound Detail
CHEMBL542786
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Basic Information
| ChEMBL ID | CHEMBL542786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEBUJKMNRLLVFY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191655 |
| Active Moiety | CHEMBL1191655 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
3.86
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 34.0 | nM | 7.47 | In vitro binding affinity at Sigma opioid receptors on guinea pig brain membrane... | 10508444 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 34.0 | nM | 7.47 | Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid r... | 10090790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10508444 | 10.1021/jm990135j | Sigma non-opioid intracellular receptor 1 | 2 |
| 10508444 | 10.1021/jm990135j | Unchecked | 1 |
| 10508444 | 10.1021/jm990135j | D(2) dopamine receptor | 1 |
| 10090790 | 10.1021/jm980212v | Sigma non-opioid intracellular receptor 1 | 1 |
| 10090790 | 10.1021/jm980212v | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine