Compound Detail
CHEMBL160237
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Basic Information
| ChEMBL ID | CHEMBL160237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCJGDEWUYHFOFK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
416.9
MW (Da)
3.68
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Ki 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | Ki | 8.12 | 8.12 | 7.6 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 7.64 | nM | 8.12 | Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat st... | 9046352 |
| 5-hydroxytryptamine receptor 4 | IC50 | = | 100.0 | nM | 7.0 | 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 | 3 |
Data from ChEMBL 36 via Core Engine