Compound Detail
CHEMBL5597179
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Basic Information
| ChEMBL ID | CHEMBL5597179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYCDZXBHJWMFGW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL6068931 |
| Active Moiety | CHEMBL6068931 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
5.89
ALogP
2
HBA
2
HBD
62.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 1.1 | nM | 8.96 | Binding affinity to human 5-HT7 receptor extracted from HEK293 cell membrane ass... | 38552597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38552597 | 10.1016/j.bmc.2024.117698 | Sodium-dependent serotonin transporter | 1 |
| 38552597 | 10.1016/j.bmc.2024.117698 | 5-hydroxytryptamine receptor 1A | 1 |
| 38552597 | 10.1016/j.bmc.2024.117698 | 5-hydroxytryptamine receptor 7 | 1 |
| 38552597 | 10.1016/j.bmc.2024.117698 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 38552597 | 10.1016/j.bmc.2024.117698 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine