Compound Detail
CHEMBL425714
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Basic Information
| ChEMBL ID | CHEMBL425714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIRADRSBOPYPKZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
3.93
ALogP
5
HBA
0
HBD
51.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Ki 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 6.1 | 6.1 | 792.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 16.0 | nM | 7.8 | Binding affinity against human 5-hydroxytryptamine 6 receptor transfected in HeL... | 15482912 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 792.0 | nM | 6.1 | Inhibitory concentration against human 5-hydroxytryptamine 6 receptor transfecte... | 15482912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15482912 | 10.1016/j.bmcl.2004.09.003 | 5-hydroxytryptamine receptor 6 | 3 |
Data from ChEMBL 36 via Core Engine