Compound Detail
CHEMBL566522
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 | CHEMBL566522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRNJLENJYHXKEL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
2.67
ALogP
5
HBA
1
HBD
52.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Ki 1 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Ki | 9.17 | 9.17 | 0.7 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL3666 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 0.68 | nM | 9.17 | Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate | 19831400 |
| 5-hydroxytryptamine receptor 3A | IC50 | = | 270.0 | nM | 6.57 | Antagonist activity at 5HT3 receptor in spontaneously beating guinea pig right a... | 19831400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19831400 | 10.1021/jm901126m | Rattus norvegicus | 12 |
| 19831400 | 10.1021/jm901126m | Brain | 3 |
| 19831400 | 10.1021/jm901126m | ADMET | 3 |
| 19831400 | 10.1021/jm901126m | 5-hydroxytryptamine receptor 3A | 2 |
| 19831400 | 10.1021/jm901126m | 5-hydroxytryptamine receptor 1A | 1 |
| 19831400 | 10.1021/jm901126m | 5-hydroxytryptamine receptor 2A | 1 |
| 19831400 | 10.1021/jm901126m | 5-hydroxytryptamine receptor 4 | 1 |
| 19831400 | 10.1021/jm901126m | Adrenergic receptor alpha-1 | 1 |
| 19831400 | 10.1021/jm901126m | Alpha-2A adrenergic receptor | 1 |
| 19831400 | 10.1021/jm901126m | D(1A) dopamine receptor | 1 |
| 19831400 | 10.1021/jm901126m | D(2) dopamine receptor | 1 |
| 19831400 | 10.1021/jm901126m | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine