Compound Detail
CHEMBL328292
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Basic Information
| ChEMBL ID | CHEMBL328292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZAXJINUJRJQJM-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
0.86
ALogP
10
HBA
0
HBD
80.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.55 | 8.55 | 2.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.55 | 8.155 | 2.8 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.31 | 6.31 | 486.4 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.31 | 6.28 | 486.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.8 | nM | 8.55 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 1... | 19679379 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.799 | nM | 8.55 | Binding affinity to 5-HT1A (unknown origin) | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 17.2 | nM | 7.76 | Ability to bind to central serotonin 5-hydroxytryptamine 1A receptor in vitro in... | 15115407 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 486.0 | nM | 6.31 | Displacement of [3H]ketanserin from 5HT2A receptor in rat cerebral cortex after ... | 19679379 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 486.41 | nM | 6.31 | Binding affinity to 5-HT2A (unknown origin) | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 562.0 | nM | 6.25 | Ability to bind to central serotonin 5-hydroxytryptamine 2A receptor in vitro in... | 15115407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115407 | 10.1021/jm030946u | 5-hydroxytryptamine receptor 1A | 1 |
| 15115407 | 10.1021/jm030946u | 5-hydroxytryptamine receptor 2A | 1 |
| 19679379 | 10.1016/j.ejmech.2009.07.014 | 5-hydroxytryptamine receptor 1A | 1 |
| 19679379 | 10.1016/j.ejmech.2009.07.014 | 5-hydroxytryptamine receptor 2A | 1 |
| - | 10.1007/s00044-011-9555-y | 5-hydroxytryptamine receptor 2A | 1 |
| - | 10.1007/s00044-011-9555-y | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine