Compound Detail
CHEMBL301956
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Basic Information
| ChEMBL ID | CHEMBL301956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPLFGEFBTYQRPO-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
302.8
MW (Da)
4.48
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 7.96 | 7.96 | 11.0 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1 | 12729675 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 10.96 | nM | 7.96 | Inhibition of human ERG | 21185626 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 12.0 | nM | 7.92 | Binding affinity to serotonin 5-hydroxytryptamine 2A receptors using a radioliga... | 8809161 |
| Alpha-1A adrenergic receptor | IC50 | = | 18.0 | nM | 7.75 | Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]praz... | 8809161 |
| D(2) dopamine receptor | IC50 | = | 19.0 | nM | 7.72 | Binding affinity to dopamine receptor D2 using a [3H]-spiperone binding assay in... | 8809161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12729675 | 10.1016/s0960-894x(03)00196-3 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 8809161 | 10.1021/jm960159f | 5-hydroxytryptamine receptor 2A | 1 |
| 8809161 | 10.1021/jm960159f | D(2) dopamine receptor | 1 |
| 8809161 | 10.1021/jm960159f | Alpha-1A adrenergic receptor | 1 |
| 21185626 | 10.1016/j.ejmech.2010.11.042 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine