Compound Detail
CHEMBL1643882
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Basic Information
| ChEMBL ID | CHEMBL1643882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPGYKWQFGNLYIY-CQSZACIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
1.61
ALogP
3
HBA
1
HBD
52.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 4.9 | nM | 8.31 | Binding affinity to human 5HT3A receptor | 21146988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21146988 | 10.1016/j.bmcl.2010.11.080 | 5-hydroxytryptamine receptor 3A | 4 |
| 21146988 | 10.1016/j.bmcl.2010.11.080 | 5-hydroxytryptamine receptor 1A | 1 |
| 21146988 | 10.1016/j.bmcl.2010.11.080 | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine