Compound Detail
CHEMBL566533
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Basic Information
| ChEMBL ID | CHEMBL566533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSFMQTFAVWMEGW-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
442.0
MW (Da)
4.59
ALogP
5
HBA
1
HBD
57.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.48 | 7.48 | 32.9 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.41 | 7.41 | 39.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.97 | 5.97 | 1070.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.87 | 5.87 | 1350.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 1.28 | nM | 8.89 | Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat brain cortex by... | 19954866 |
| Adrenergic receptor alpha-1 | Ki | = | 32.9 | nM | 7.48 | Displacement of [3H]prozosine from alpha1 adrenergic receptor in rat brain corte... | 19954866 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 39.0 | nM | 7.41 | Displacement of [3H]8OH-DPAT from 5HT1A in Sprague-Dawley rat brain cortex by li... | 19954866 |
| D(1A) dopamine receptor | Ki | = | 1070.0 | nM | 5.97 | Displacement of [3H]SCH23390 from dopamine D1 in rat striatum by liquid scintill... | 19954866 |
| Adrenergic receptor alpha-2 | Ki | = | 1350.0 | nM | 5.87 | Displacement of [3H]yohimbine from alpha2 adrenergic receptor in rat brain corte... | 19954866 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 10000.0 | nM | 5.0 | Displacement of [3H]ketanserin from 5HT2A in Sprague-Dawley rat brain cortex by ... | 19954866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19954866 | 10.1016/j.ejmech.2009.11.023 | D(2) dopamine receptor | 1 |
| 19954866 | 10.1016/j.ejmech.2009.11.023 | Adrenergic receptor alpha-2 | 1 |
| 19954866 | 10.1016/j.ejmech.2009.11.023 | D(1A) dopamine receptor | 1 |
| 19954866 | 10.1016/j.ejmech.2009.11.023 | Adrenergic receptor alpha-1 | 1 |
| 19954866 | 10.1016/j.ejmech.2009.11.023 | 5-hydroxytryptamine receptor 1A | 1 |
| 19954866 | 10.1016/j.ejmech.2009.11.023 | 5-hydroxytryptamine receptor 2C | 1 |
| 19954866 | 10.1016/j.ejmech.2009.11.023 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine