Compound Detail
CHEMBL3329445
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3329445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSLXKMCHXRCBIH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
454.0
MW (Da)
3.34
ALogP
7
HBA
2
HBD
79.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.4 | 8.4 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 4.0 | nM | 8.4 | Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells | 24850589 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 4.0 | nM | 8.4 | Displacement of LSD from recombinant human 5-HT6R assessed as inhibition constan... | 34311086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24850589 | 10.1021/jm5003952 | 5-hydroxytryptamine receptor 6 | 1 |
| 34311086 | 10.1016/j.bmcl.2021.128275 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine