Compound Detail
CHEMBL32986
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Basic Information
| ChEMBL ID | CHEMBL32986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBEXDFKDVPUPAQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.8
MW (Da)
2.57
ALogP
5
HBA
1
HBD
64.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.36
Ki 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | Ki | 7.46 | 7.46 | 34.5 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | EC50 | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 34.5 | nM | 7.46 | Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as r... | - |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 44.0 | nM | 7.36 | 5-hydroxytryptamine 4 receptor agonist activity as increased response to electri... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80508-4 | 5-hydroxytryptamine receptor 4 | 4 |
| - | 10.1016/S0960-894X(01)80508-4 | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine