Compound Detail
CHEMBL421738
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Basic Information
| ChEMBL ID | CHEMBL421738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZPKLJVFRJJYHW-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.2
MW (Da)
1.71
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.97
Kd 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Ki | 8.97 | 8.915 | 1.1 | 2 |
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Kd | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 1.07 | nM | 8.97 | Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 recep... | - |
| 5-hydroxytryptamine receptor 3A | Ki | = | 1.37 | nM | 8.86 | Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 recep... | - |
| 5-hydroxytryptamine receptor 3A | Kd | = | 2.6 | nM | 8.59 | Compound was tested in vitro for its antagonistic activity against 5-hydroxytryp... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00497-0 | 5-hydroxytryptamine receptor 3A | 3 |
Data from ChEMBL 36 via Core Engine