Compound Detail
CHEMBL4228145
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Basic Information
| ChEMBL ID | CHEMBL4228145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUCOYUJMKYDNIZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.59
ALogP
4
HBA
0
HBD
49.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL3666 | Kd | 7.8 | 7.8 | 15.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Kd | = | 15.85 | nM | 7.8 | Antagonist activity 5-HT3A receptor in guinea pig ileum assessed as inhibition o... | 28606760 |
| 5-hydroxytryptamine receptor 3A | Kd | = | 15.85 | nM | 7.8 | Antagonist activity at 5-HT3 receptor in guinea-pig ileum assessed as inhibition... | 35176563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28606760 | 10.1016/j.bmcl.2017.04.073 | 5-hydroxytryptamine receptor 3A | 1 |
| 35176563 | 10.1016/j.ejmech.2022.114193 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine