Compound Detail
CHEMBL155917
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL155917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUEFUOFMOXJXAR-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.9
MW (Da)
3.07
ALogP
5
HBA
1
HBD
64.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Ki 2 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | Ki | 9.59 | 9.11 | 0.3 | 2 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | IC50 | 7.96 | 7.925 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 0.26 | nM | 9.59 | Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat st... | 9046352 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 2.32 | nM | 8.63 | Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat st... | 9046352 |
| 5-hydroxytryptamine receptor 4 | IC50 | = | 11.0 | nM | 7.96 | 5-hydroxytryptamine 4 receptor antagonist activity, concentration which gave 50%... | 9046352 |
| 5-hydroxytryptamine receptor 4 | IC50 | = | 13.0 | nM | 7.89 | 5-hydroxytryptamine 4 receptor antagonist activity, concentration which gave 50%... | 9046352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046352 | 10.1021/jm960320m | 5-hydroxytryptamine receptor 4 | 6 |
| 9046352 | 10.1021/jm960320m | Serotonin 3 (5-HT3) receptor | 2 |
Data from ChEMBL 36 via Core Engine