Compound Detail
CHEMBL148565
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Basic Information
| ChEMBL ID | CHEMBL148565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZLOABUPAFZHAF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
343.5
MW (Da)
3.56
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 5.6 | 5.6 | 2500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 15.0 | nM | 7.82 | Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine... | 11784153 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 2500.0 | nM | 5.6 | Displacement of [3H]-dofetilide to HEK cells stably expressing hERG voltage-gate... | 11784153 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 2500.0 | nM | 5.6 | Inhibition of human ERG channel | 19534531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11784153 | 10.1021/jm011030v | 5-hydroxytryptamine receptor 2A | 1 |
| 11784153 | 10.1021/jm011030v | D(2) dopamine receptor | 1 |
| 11784153 | 10.1021/jm011030v | Adrenergic receptor alpha-1 | 1 |
| 11784153 | 10.1021/jm011030v | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19534531 | 10.1021/jm900002x | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine