Compound Detail
CHEMBL420969
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Basic Information
| ChEMBL ID | CHEMBL420969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSEIPXZUDCSBHO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.8
MW (Da)
2.15
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.6
Ki 1 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | Ki | 6.87 | 6.87 | 135.0 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | EC50 | 6.6 | 6.6 | 251.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 135.0 | nM | 6.87 | Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat st... | 9046352 |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 251.19 | nM | 6.6 | Agonist activity against 5-HT4 receptor in rat esophageal muscularis mucosae | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046352 | 10.1021/jm960320m | 5-hydroxytryptamine receptor 4 | 3 |
| - | 10.1016/S0960-894X(01)80413-3 | 5-hydroxytryptamine receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine