Compound Detail
CHEMBL477650
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 | CHEMBL477650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWXCMQFSARGQNK-UHFFFAOYSA-N |
3
Targets
4
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
412.6
MW (Da)
4.98
ALogP
4
HBA
1
HBD
49.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
EC50 1 meas. best 9.52
Ki 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | EC50 | 9.52 | 9.52 | 0.3 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.28 | 7.28 | 53.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 5.94 | 5.94 | 1142.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | EC50 | = | 0.3 | nM | 9.52 | Agonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as s... | 19159187 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 53.0 | nM | 7.28 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by li... | 19159187 |
| Alpha-2A adrenergic receptor | IC50 | = | 700.0 | nM | 6.16 | Inhibition of human adrenergic alpha2A receptor | 19159187 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 1142.0 | nM | 5.94 | Inhibition of human 5HT1A receptor | 19159187 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19159187 | 10.1021/jm8009469 | 5-hydroxytryptamine receptor 6 | 4 |
| 19159187 | 10.1021/jm8009469 | Alpha-2A adrenergic receptor | 1 |
| 19159187 | 10.1021/jm8009469 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine