Compound Detail
CHEMBL79637
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Basic Information
| ChEMBL ID | CHEMBL79637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTGXFECGBWGZIS-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.9
MW (Da)
4.02
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.9
Ki 1 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | EC50 | 7.9 | 7.9 | 12.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 3.9 | nM | 8.41 | Displacement of [3H]GR113808 from serotonin 5-HT4 receptor in Dunkin-Hartley gui... | 30108781 |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 12.59 | nM | 7.9 | Agonist activity against 5-HT4 receptor in rat esophageal muscularis mucosae | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108781 | 10.1039/C6MD00458J | 5-hydroxytryptamine receptor 4 | 3 |
| - | 10.1016/S0960-894X(01)80413-3 | 5-hydroxytryptamine receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine