Compound Detail
CHEMBL211577
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Basic Information
| ChEMBL ID | CHEMBL211577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZAOHADKAZDUGT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
1.93
ALogP
4
HBA
1
HBD
49.4
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.16 | 8.065 | 6.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 6.9 | nM | 8.16 | Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding a... | 16913710 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 10.8 | nM | 7.97 | Antagonist activity at recombinant human 5-HT6 receptor expressed in HEK293 cell... | 23787290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16913710 | 10.1021/jm060469q | 5-hydroxytryptamine receptor 6 | 1 |
| 23787290 | 10.1016/j.bmc.2013.05.040 | 5-hydroxytryptamine receptor 6 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine