Compound Detail
CHEMBL5208122
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Basic Information
| ChEMBL ID | CHEMBL5208122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PECOEBMXUCFJPY-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
2.74
ALogP
6
HBA
1
HBD
63.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.37
Ki 1 meas. best 9.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 9.37 | 9.37 | 0.4 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.37 | 9.37 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | IC50 | = | 0.43 | nM | 9.37 | Biological Assay: The binding affinity of the compound of this invention to huma... | - |
| 5-hydroxytryptamine receptor 6 | Ki | = | 0.43 | nM | 9.37 | Displacement of [3H]-LSD from human 5HT6R expressed in CHO cell membranes incuba... | 35839536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35839536 | 10.1016/j.bmc.2022.116917 | No relevant target | 1 |
| 35839536 | 10.1016/j.bmc.2022.116917 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine