Compound Detail
CHEMBL544838
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 | CHEMBL544838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNFAQYMUXZNLGK-BDQAORGHSA-N |
| Parent Compound | CHEMBL1193433 |
| Active Moiety | CHEMBL1193433 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
4.89
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 4.9 | nM | 8.31 | Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) recepto... | 8831769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831769 | 10.1021/jm960329o | 5-hydroxytryptamine receptor 1A | 6 |
Data from ChEMBL 36 via Core Engine