Compound Detail
CHEMBL568284
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Basic Information
| ChEMBL ID | CHEMBL568284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTIUQHNBWSFVMR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
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 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 7.35 | 7.35 | 45.1 | 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 1A | Ki | = | 14.0 | nM | 7.85 | Displacement of [3H]8OH-DPAT from 5HT1A in Sprague-Dawley rat brain cortex by li... | 19954866 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 45.1 | nM | 7.35 | Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat brain cortex by... | 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 | 5-hydroxytryptamine receptor 2C | 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 2A | 1 |
Data from ChEMBL 36 via Core Engine