Compound Detail
CHEMBL48836
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Basic Information
| ChEMBL ID | CHEMBL48836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDVIUVQHUDGVJR-GASCZTMLSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.61
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Ki 1 meas. best 8.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | Ki | 8.98 | 8.98 | 1.1 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 1.05 | nM | 8.98 | Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by ... | 9171886 |
| Cavia porcellus | IC50 | = | 30.0 | nM | 7.52 | Antagonist activity was calculated as the concentration which produced a 50% red... | 9171886 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9171886 | 10.1021/jm960853v | Cavia porcellus | 2 |
| 9171886 | 10.1021/jm960853v | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine