Compound Detail
CHEMBL583422
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Basic Information
| ChEMBL ID | CHEMBL583422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHVYZKYAQKAVQU-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
3.66
ALogP
7
HBA
1
HBD
76.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.58 | 7.58 | 26.1 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 7.36 | 7.36 | 43.6 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.64 | 6.64 | 231.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.47 | 6.47 | 338.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | 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 2A | Ki | = | 26.1 | nM | 7.58 | Displacement of [3H]ketanserin from 5HT2A in Sprague-Dawley rat brain cortex by ... | 19954866 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 43.6 | nM | 7.36 | Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat brain cortex by... | 19954866 |
| Adrenergic receptor alpha-2 | Ki | = | 231.0 | nM | 6.64 | Displacement of [3H]yohimbine from alpha2 adrenergic receptor in rat brain corte... | 19954866 |
| Adrenergic receptor alpha-1 | Ki | = | 338.0 | nM | 6.47 | Displacement of [3H]prozosine from alpha1 adrenergic receptor in rat brain corte... | 19954866 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 10000.0 | nM | 5.0 | Displacement of [3H]8OH-DPAT from 5HT1A in Sprague-Dawley rat brain cortex by li... | 19954866 |
| D(1A) dopamine receptor | Ki | = | 10000.0 | nM | 5.0 | Displacement of [3H]SCH23390 from dopamine D1 in rat striatum by liquid scintill... | 19954866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19954866 | 10.1016/j.ejmech.2009.11.023 | 5-hydroxytryptamine receptor 1A | 1 |
| 19954866 | 10.1016/j.ejmech.2009.11.023 | D(2) dopamine receptor | 1 |
| 19954866 | 10.1016/j.ejmech.2009.11.023 | 5-hydroxytryptamine receptor 2C | 1 |
| 19954866 | 10.1016/j.ejmech.2009.11.023 | Adrenergic receptor alpha-2 | 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 2A | 1 |
| 19954866 | 10.1016/j.ejmech.2009.11.023 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine