Compound Detail
CHEMBL136563
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 | CHEMBL136563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFOSHVNQFAEBLL-CAOOACKPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.87
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.71 | nM | 9.15 | Binding was determined on 5-hydroxytryptamine 1A receptor in rat hippocampal mem... | 11728188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11728188 | 10.1021/jm010866v | 5-hydroxytryptamine receptor 1A | 1 |
| 11728188 | 10.1021/jm010866v | D(2) dopamine receptor | 1 |
| 11728188 | 10.1021/jm010866v | Adrenergic receptor alpha-1 | 1 |
| 11728188 | 10.1021/jm010866v | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine