Compound Detail
CHEMBL571483
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Basic Information
| ChEMBL ID | CHEMBL571483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYLTZSWXKJWKOY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.24
ALogP
6
HBA
2
HBD
72.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.58
Ki 1 meas. best 8.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Ki | 8.65 | 8.65 | 2.2 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL3666 | IC50 | 5.58 | 5.58 | 2630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 2.25 | nM | 8.65 | Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate | 19831400 |
| 5-hydroxytryptamine receptor 3A | IC50 | = | 2630.0 | nM | 5.58 | 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 | 6 |
| 19831400 | 10.1021/jm901126m | 5-hydroxytryptamine receptor 3A | 2 |
Data from ChEMBL 36 via Core Engine