Compound Detail
CHEMBL1668027
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Basic Information
| ChEMBL ID | CHEMBL1668027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUIDTYIQTMUFJB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.9
MW (Da)
3.64
ALogP
5
HBA
0
HBD
58.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL3666 | Kd | 6.6 | 6.6 | 251.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Kd | = | 251.19 | nM | 6.6 | Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle | 21256009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21256009 | 10.1016/j.bmcl.2010.12.064 | Mus musculus | 6 |
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
| 21256009 | 10.1016/j.bmcl.2010.12.064 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine