Compound Detail
CHEMBL523716
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Basic Information
| ChEMBL ID | CHEMBL523716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHKKNUFVKFSRIU-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
1.49
ALogP
6
HBA
2
HBD
82.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.24
Ki 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL3666 | IC50 | 5.24 | 5.24 | 5754.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 0.8 | nM | 9.1 | Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate | 19425598 |
| 5-hydroxytryptamine receptor 3A | IC50 | = | 5754.4 | nM | 5.24 | Antagonist activity at 5HT3 receptor in spontaneously beating guinea pig right a... | 19425598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 3A | 5 |
| 19425598 | 10.1021/jm900018b | Rattus norvegicus | 3 |
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 1A | 1 |
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 2A | 1 |
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 4 | 1 |
| 19425598 | 10.1021/jm900018b | Adrenergic receptor alpha-1 | 1 |
| 19425598 | 10.1021/jm900018b | Alpha-2A adrenergic receptor | 1 |
| 19425598 | 10.1021/jm900018b | D(1A) dopamine receptor | 1 |
| 19425598 | 10.1021/jm900018b | D(2) dopamine receptor | 1 |
| 19425598 | 10.1021/jm900018b | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine