Compound Detail
CHEMBL94422
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Basic Information
| ChEMBL ID | CHEMBL94422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHFSWNYVTLJUEH-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
2.94
ALogP
4
HBA
0
HBD
42.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.1
Ki 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.52 | 8.5133 | 3.0 | 3 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 6.1 | 6.08 | 800.0 | 2 |
| HEK293 CHEMBL614818 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 3.0 | nM | 8.52 | Binding affinity to 5HT6 receptor | 19758807 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 3.1 | nM | 8.51 | Binding affinity towards human 5-hydroxytryptamine 6 receptor | 12825922 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 3.1 | nM | 8.51 | Binding affinity towards human 5-hydroxytryptamine 6 receptor | 12951125 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 800.0 | nM | 6.1 | Antagonistic activity towards 5-hydroxytryptamine 6 receptor was evaluated in cA... | 12825922 |
| HEK293 | IC50 | = | 880.0 | nM | 6.06 | Inhibition of 5-HT stimulated cAMP production in HEK-5-HT6 cells | 12951125 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 880.0 | nM | 6.06 | Antagonist activity at 5HT6 receptor | 19758807 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 6 | 2 |
| 19758807 | 10.1016/j.bmc.2009.08.006 | 5-hydroxytryptamine receptor 6 | 2 |
| 12951125 | 10.1016/s0960-894x(03)00612-7 | 5-hydroxytryptamine receptor 6 | 1 |
| 12951125 | 10.1016/s0960-894x(03)00612-7 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine