Compound Detail
CHEMBL425196
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Basic Information
| ChEMBL ID | CHEMBL425196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJAWBWFJLFGUHK-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.3
MW (Da)
4.06
ALogP
4
HBA
0
HBD
42.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.27
Ki 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.0 | 9.0 | 1.0 | 2 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 7.27 | 7.27 | 53.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]LSD from cloned human 5-hydroxytryptamine 6 receptor express... | 16125933 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 1.0 | nM | 9.0 | Binding affinity to 5HT6 receptor | 19758807 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 53.3 | nM | 7.27 | Inhibition of cAMP production in HeLa cells expressing human 5-HT6 receptor | 16125933 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 53.3 | nM | 7.27 | Antagonist activity at 5HT6 receptor | 19758807 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16125933 | 10.1016/j.bmcl.2005.07.028 | 5-hydroxytryptamine receptor 6 | 3 |
| 19758807 | 10.1016/j.bmc.2009.08.006 | 5-hydroxytryptamine receptor 6 | 2 |
| 21724392 | 10.1016/j.bmcl.2011.05.106 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine