Compound Detail
CHEMBL232791
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Basic Information
| ChEMBL ID | CHEMBL232791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEZANYAKTRIHDI-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
3.47
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.07 | 8.07 | 8.6 | 2 |
| Unchecked CHEMBL612545 | Ki | 8.05 | 8.05 | 8.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.32 | 5.32 | 4826.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.32 | 5.32 | 4826.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 8.6 | nM | 8.07 | Displacement of [3H]LSD from human 5HT7 in sf9 cells | 17419056 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 8.6 | nM | 8.07 | Antagonist activity at 5-HT7 receptor (unknown origin) | 31581003 |
| Unchecked | Ki | = | 8.82 | nM | 8.05 | Displacement of [3H]SB269970 from 5HT7R in Danish Landrace pig brain section aft... | 22682922 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 4826.0 | nM | 5.32 | Binding affinity to rat 5HT1A | 17419056 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 4826.0 | nM | 5.32 | Antagonist activity at 5-HT1A receptor (unknown origin) | 31581003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17419056 | 10.1016/j.bmcl.2007.03.054 | 5-hydroxytryptamine receptor 7 | 4 |
| 17419056 | 10.1016/j.bmcl.2007.03.054 | 5-hydroxytryptamine receptor 1A | 3 |
| 17419056 | 10.1016/j.bmcl.2007.03.054 | Unchecked | 1 |
| 22682922 | 10.1016/j.bmc.2012.05.005 | No relevant target | 1 |
| 22682922 | 10.1016/j.bmc.2012.05.005 | Unchecked | 1 |
| 31581003 | 10.1016/j.ejmech.2019.111705 | 5-hydroxytryptamine receptor 7 | 1 |
| 31581003 | 10.1016/j.ejmech.2019.111705 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine