Compound Detail
CHEMBL584690
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 | CHEMBL584690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWYIFLFDQKYUEK-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
3.70
ALogP
4
HBA
1
HBD
52.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 10.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 10.29 | 10.29 | 0.1 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL1075268 | Ki | 8.3 | 7.885 | 5.0 | 2 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.3 | 7.885 | 5.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.051 | nM | 10.29 | Antagonist activity at mouse 5HT6 receptor C5.43A mutant expressed in COS7 cells... | 20078106 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 5.0 | nM | 8.3 | Antagonist activity at human 5HT6 receptor expressed in COS7 cells assessed as i... | 20078106 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 5.0 | nM | 8.3 | Antagonist activity at mouse wild type 5HT6 receptor expressed in COS7 cells ass... | 20078106 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 34.0 | nM | 7.47 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by li... | 20078106 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 34.0 | nM | 7.47 | Antagonist activity at mouse 5HT6 receptor C3.36A mutant expressed in COS7 cells... | 20078106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20078106 | 10.1021/jm901672k | 5-hydroxytryptamine receptor 6 | 6 |
| 20078106 | 10.1021/jm901672k | Unchecked | 2 |
| 20078106 | 10.1021/jm901672k | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine