Compound Detail
CHEMBL275481
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Basic Information
| ChEMBL ID | CHEMBL275481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXEAKHMDZXZNIZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
3.60
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 4.8 | 4.8 | 15848.9 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 4.61 | 4.61 | 24547.1 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | IC50 | 4.45 | 4.45 | 35481.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 15848.93 | nM | 4.8 | Binding affinity towards 5-hydroxytryptamine 1A receptor by displacement of [3H]... | - |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 24547.09 | nM | 4.61 | Binding affinity towards 5-hydroxytryptamine 2A receptor by displacement of [3H]... | - |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 35481.34 | nM | 4.45 | Binding affinity towards 5-hydroxytryptamine 1B receptor by displacement of [3H]... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00174-6 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/0960-894X(96)00174-6 | 5-hydroxytryptamine receptor 1B | 1 |
| - | 10.1016/0960-894X(96)00174-6 | 5-hydroxytryptamine receptor 2A | 1 |
| - | 10.1016/0960-894X(96)00174-6 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine