Compound Detail
CHEMBL4161904
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Basic Information
| ChEMBL ID | CHEMBL4161904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIAFQUNSIKOTAR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
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 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.3 | 8.26 | 5.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 5.0 | nM | 8.3 | Binding affinity to 5HT6R (unknown origin) | 29291439 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 6.0 | nM | 8.22 | Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membr... | 34467765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34467765 | 10.1021/acs.jmedchem.1c00224 | 5-hydroxytryptamine receptor 6 | 2 |
| 29291439 | 10.1016/j.ejmech.2017.12.053 | 5-hydroxytryptamine receptor 6 | 1 |
| 34467765 | 10.1021/acs.jmedchem.1c00224 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine