Compound Detail
CHEMBL231172
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 | CHEMBL231172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFCWEAZGYGALQA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
410.9
MW (Da)
2.50
ALogP
5
HBA
2
HBD
78.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.93 | 6.93 | 117.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 117.49 | nM | 6.93 | Binding affinity to 5HT1A receptor in rat cortex membrane | 17803293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17803293 | 10.1021/jm070714l | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine