Compound Detail
CHEMBL545598
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Basic Information
| ChEMBL ID | CHEMBL545598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZLXABGNLIMUPT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1194089 |
| Active Moiety | CHEMBL1194089 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
4.69
ALogP
5
HBA
0
HBD
34.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 11.0 | nM | 7.96 | Inhibitory concentration against radioligand [3H](-)-sulpiride binding to Dopami... | 10090790 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 25.0 | nM | 7.6 | Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid r... | 10090790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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