Compound Detail
CHEMBL314164
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Basic Information
| ChEMBL ID | CHEMBL314164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORXSRBCOMNTIRE-LLVKDONJSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
435.7
MW (Da)
2.36
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Ki | 10.3 | 10.2333 | 0.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 0.05 | nM | 10.3 | Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 recep... | - |
| 5-hydroxytryptamine receptor 3A | Ki | = | 0.052 | nM | 10.28 | Compound was tested for its binding affinity towards 5-HT-3 receptor in whole ra... | - |
| 5-hydroxytryptamine receptor 3A | Ki | = | 0.075 | nM | 10.12 | Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 recep... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00497-0 | 5-hydroxytryptamine receptor 3A | 3 |
| - | 10.1016/S0960-894X(96)00497-0 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine