Compound Detail
CHEMBL3084582
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Basic Information
| ChEMBL ID | CHEMBL3084582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBSQXMOZMFTQSH-CNDDSTCGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
1.52
ALogP
5
HBA
2
HBD
79.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 6.5 | 6.5 | 316.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 63.1 | nM | 7.2 | Binding affinity at 5HT4 receptor | 19261477 |
| 5-hydroxytryptamine receptor 3A | Ki | = | 316.23 | nM | 6.5 | Binding affinity at 5HT3 receptor | 19261477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19261477 | 10.1016/j.bmc.2008.11.045 | 5-hydroxytryptamine receptor 3A | 1 |
| 19261477 | 10.1016/j.bmc.2008.11.045 | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine