Compound Detail
CHEMBL44481
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 | CHEMBL44481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXJGRUKKWHCPKF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
474.4
MW (Da)
3.99
ALogP
6
HBA
1
HBD
72.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.52 | 7.52 | 30.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 30.2 | nM | 7.52 | Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H... | 10229633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10229633 | 10.1021/jm9806906 | 5-hydroxytryptamine receptor 1A | 2 |
| 10229633 | 10.1021/jm9806906 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine