Compound Detail
CHEMBL93919
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Basic Information
| ChEMBL ID | CHEMBL93919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NADMOKMSPBJASV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
3.44
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 9.38 | 9.38 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 0.42 | nM | 9.38 | Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2... | 2213824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2213824 | 10.1021/jm00172a006 | Serotonin 3 (5-HT3) receptor | 3 |
| 2213824 | 10.1021/jm00172a006 | 5-hydroxytryptamine receptor 3A | 1 |
| 2231600 | 10.1021/jm00173a017 | Serotonin 3 receptor (5HT3) | 1 |
Data from ChEMBL 36 via Core Engine