Compound Detail
CHEMBL5597415
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 | CHEMBL5597415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVFNMWYWZSUBFG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.7
MW (Da)
3.68
ALogP
6
HBA
2
HBD
60.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 6.0 | nM | 8.22 | Binding affinity to human 5-HT7 receptor extracted from HEK293 cell membrane ass... | 38552597 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 14.0 | nM | 7.85 | Binding affinity to human 5-HT1A receptor extracted from HEK293 cell membrane as... | 38552597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38552597 | 10.1016/j.bmc.2024.117698 | 5-hydroxytryptamine receptor 1A | 1 |
| 38552597 | 10.1016/j.bmc.2024.117698 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine