Compound Detail
CHEMBL83841
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Basic Information
| ChEMBL ID | CHEMBL83841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQSBMNUPJHCOCK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
324.9
MW (Da)
3.77
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | EC50 | 7.4 | 7.4 | 39.8 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | EC50 | 7.4 | 7.4 | 39.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | EC50 | = | 39.81 | nM | 7.4 | Agonist activity against 5-HT4 receptor in rat esophageal muscularis mucosae | - |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 39.81 | nM | 7.4 | Compound was tested against 5-HT4 receptor through agonism of 5-HT mediated rela... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80413-3 | 5-hydroxytryptamine receptor 4 | 2 |
| - | 10.1016/S0960-894X(01)80414-5 | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine