Compound Detail
CHEMBL92093
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Basic Information
| ChEMBL ID | CHEMBL92093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSTVUAOHUFOUFR-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
3.87
ALogP
5
HBA
0
HBD
51.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.82 | 8.7 | 1.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 1.5 | nM | 8.82 | Binding affinity towards human 5-hydroxytryptamine 6 receptor | 12825922 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 2.3 | nM | 8.64 | Ability to displace [3H]LSD from human 5-hydroxytryptamine 6 receptor transientl... | 15050637 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 2.3 | nM | 8.64 | Binding affinity to human 5-HT6 receptor | 23036955 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 6 | 1 |
| 15050637 | 10.1016/j.bmcl.2004.01.071 | 5-hydroxytryptamine receptor 6 | 1 |
| 23036955 | 10.1016/j.bmcl.2012.06.002 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine