Compound Detail
CHEMBL542806
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL542806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGHHFIABFLTLCY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL433461 |
| Active Moiety | CHEMBL433461 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
0.94
ALogP
7
HBA
4
HBD
122.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 54.95 | nM | 7.26 | Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 recept... | 12646038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12646038 | 10.1021/jm021085c | 5-hydroxytryptamine receptor 6 | 1 |
| 12646038 | 10.1021/jm021085c | 5-hydroxytryptamine receptor 1D | 1 |
| 12646038 | 10.1021/jm021085c | 5-hydroxytryptamine receptor 2A | 1 |
| 12646038 | 10.1021/jm021085c | 5-hydroxytryptamine receptor 2C | 1 |
| 12646038 | 10.1021/jm021085c | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine