Compound Detail
CHEMBL523497
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Basic Information
| ChEMBL ID | CHEMBL523497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKCKAXNJSSPUAS-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
1.83
ALogP
5
HBA
1
HBD
61.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.73
Ki 2 meas. best 7.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Ki | 7.93 | 7.93 | 11.7 | 2 |
| 5-hydroxytryptamine receptor 3A CHEMBL3666 | IC50 | 5.73 | 5.725 | 1880.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 11.7 | nM | 7.93 | Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate | 19425598 |
| 5-hydroxytryptamine receptor 3A | Ki | = | 11.7 | nM | 7.93 | Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate | 19831400 |
| 5-hydroxytryptamine receptor 3A | IC50 | = | 1880.0 | nM | 5.73 | Antagonist activity at 5HT3 receptor in spontaneously beating guinea pig right a... | 19831400 |
| 5-hydroxytryptamine receptor 3A | IC50 | = | 1905.46 | nM | 5.72 | 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 |
| 19831400 | 10.1021/jm901126m | Rattus norvegicus | 4 |
| 19831400 | 10.1021/jm901126m | ADMET | 3 |
| 19831400 | 10.1021/jm901126m | Brain | 3 |
| 19425598 | 10.1021/jm900018b | Rattus norvegicus | 2 |
| 19831400 | 10.1021/jm901126m | 5-hydroxytryptamine receptor 3A | 2 |
Data from ChEMBL 36 via Core Engine