Compound Detail
CHEMBL539587
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 | CHEMBL539587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REWPWFUHLSKVBL-BTQNPOSSSA-N |
| Parent Compound | CHEMBL1189862 |
| Active Moiety | CHEMBL1189862 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
214.3
MW (Da)
2.74
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 550.0 | nM | 6.26 | Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells | 15990303 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15990303 | 10.1016/j.bmcl.2005.05.092 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine