Compound Detail
CHEMBL80026
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Basic Information
| ChEMBL ID | CHEMBL80026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSEREZKEOCOWEK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
494.1
MW (Da)
3.73
ALogP
6
HBA
2
HBD
101.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 8.75 | 8.75 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 1.778 | nM | 8.75 | Compound was tested for binding affinity against 5-HT4 receptor in guinea pig st... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80414-5 | 5-hydroxytryptamine receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine