Compound Detail
CHEMBL5219333
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Basic Information
| ChEMBL ID | CHEMBL5219333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHEDHTCLJLQVJN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
404.9
MW (Da)
4.22
ALogP
5
HBA
0
HBD
34.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.02 | 5.02 | 9617.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 34.0 | nM | 7.47 | Binding affinity to 5-HT7R (unknown origin) assessed as inhibition constant | 34311086 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 9617.0 | nM | 5.02 | Binding affinity to 5-HT6R (unknown origin) assessed as inhibition constant | 34311086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34311086 | 10.1016/j.bmcl.2021.128275 | 5-hydroxytryptamine receptor 7 | 1 |
| 34311086 | 10.1016/j.bmcl.2021.128275 | 5-hydroxytryptamine receptor 1A | 1 |
| 34311086 | 10.1016/j.bmcl.2021.128275 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine