Compound Detail
CHEMBL4169827
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Basic Information
| ChEMBL ID | CHEMBL4169827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHCMSLNPQXWDFY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
1.68
ALogP
6
HBA
1
HBD
67.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 0.3 | nM | 9.52 | Binding affinity to 5HT6R (unknown origin) | 29291439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29291439 | 10.1016/j.ejmech.2017.12.053 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine