Compound Detail
CHEMBL11409
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL11409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKHZLUNVXJPWKS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
497.7
MW (Da)
3.89
ALogP
6
HBA
0
HBD
62.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | IC50 | 5.8 | 5.8 | 1584.9 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 4.95 | 4.95 | 11220.2 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 4.8 | 4.8 | 15848.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | IC50 | = | 1584.89 | nM | 5.8 | Binding affinity towards 5-hydroxytryptamine 1B receptor by displacement of [3H]... | - |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 11220.18 | nM | 4.95 | Binding affinity towards 5-hydroxytryptamine 2A receptor by displacement of [3H]... | - |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 15848.93 | nM | 4.8 | 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