Compound Detail
CHEMBL416336
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Basic Information
| ChEMBL ID | CHEMBL416336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVNWUIYPKNHGSZ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
376.6
MW (Da)
4.61
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 5.38 | 5.38 | 4168.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 4168.69 | nM | 5.38 | Binding affinity towards 5-hydroxytryptamine 1A 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