Compound Detail
CHEMBL316881
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Basic Information
| ChEMBL ID | CHEMBL316881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQCCQHBMYRBHBD-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.44
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.75 | 7.675 | 18.0 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 66.5 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 54.9 | nM | Rattus norvegicus |
| T1/2 | 10.3 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 18.0 | nM | 7.75 | Binding affinity towards human 5-hydroxytryptamine 6 receptor | 12825922 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 18.0 | nM | 7.75 | Binding affinity against 5 Hydroxy tryptamine 6 receptor | 15745826 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 25.0 | nM | 7.6 | Binding affinity as displacement of [3H]5-HT binding to 5-hydroxytryptamine 6 re... | 11689074 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 25.12 | nM | 7.6 | Binding affinity for human 5-hydroxytryptamine 6 receptor | 15974573 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37077395 | 10.1021/acsmedchemlett.3c00077 | ADMET | 4 |
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 6 | 1 |
| 11689074 | 10.1021/jm010943m | 5-hydroxytryptamine receptor 6 | 1 |
| 15745826 | 10.1016/j.bmcl.2005.01.031 | 5-hydroxytryptamine receptor 6 | 1 |
| 15974573 | 10.1021/jm050247c | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine