Compound Detail
CHEMBL24474
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Basic Information
| ChEMBL ID | CHEMBL24474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSMWSYNAJGWNMR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
397.3
MW (Da)
1.67
ALogP
6
HBA
2
HBD
88.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.94 | 9.94 | 0.1 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.69 | 7.69 | 20.4 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.95 | 5.95 | 1122.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 0.1148 | nM | 9.94 | Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 recept... | 12646038 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 20.42 | nM | 7.69 | Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 2C recep... | 12646038 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 1122.02 | nM | 5.95 | Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 1D recep... | 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 |
| 15745826 | 10.1016/j.bmcl.2005.01.031 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine