Compound Detail
CHEMBL175940
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 | CHEMBL175940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HECZPOPHZKGIII-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.9
MW (Da)
3.37
ALogP
7
HBA
1
HBD
71.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.72 | 8.71 | 1.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 1.9 | nM | 8.72 | Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed ... | 15771424 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 1.995 | nM | 8.7 | Binding affinity for human 5-hydroxytryptamine 6 receptor | 15974573 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771424 | 10.1021/jm049615n | 5-hydroxytryptamine receptor 6 | 2 |
| 15974573 | 10.1021/jm050247c | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine