Compound Detail
CHEMBL122047
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Basic Information
| ChEMBL ID | CHEMBL122047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAJVCKWMBZMPTO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
473.0
MW (Da)
4.88
ALogP
4
HBA
0
HBD
41.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | IC50 | = | 6.3 | nM | 8.2 | Binding affinity to serotonin 5-hydroxytryptamine 2A receptors using a radioliga... | 8809161 |
| D(2) dopamine receptor | IC50 | = | 120.0 | nM | 6.92 | Binding affinity to dopamine receptor D2 using a [3H]-spiperone binding assay in... | 8809161 |
| Alpha-1A adrenergic receptor | IC50 | = | 600.0 | nM | 6.22 | Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]praz... | 8809161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine