Compound Detail
CHEMBL415464
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Basic Information
| ChEMBL ID | CHEMBL415464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVFLAMYJXXXEAN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
392.1
MW (Da)
3.02
ALogP
4
HBA
1
HBD
73.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.3 | 7.285 | 50.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 50.12 | nM | 7.3 | Binding affinity for human 5-hydroxytryptamine 6 receptor | 15974573 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 53.7 | nM | 7.27 | Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 recept... | 12646038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12646038 | 10.1021/jm021085c | 5-hydroxytryptamine receptor 6 | 1 |
| 12646038 | 10.1021/jm021085c | 5-hydroxytryptamine receptor 1D | 1 |
| 12646038 | 10.1021/jm021085c | 5-hydroxytryptamine receptor 2A | 1 |
| 12646038 | 10.1021/jm021085c | 5-hydroxytryptamine receptor 2C | 1 |
| 12646038 | 10.1021/jm021085c | 5-hydroxytryptamine receptor 7 | 1 |
| 15974573 | 10.1021/jm050247c | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine