Compound Detail
CHEMBL542952
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 | CHEMBL542952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXFCXXXGLFNUSM-RSAXXLAASA-N |
| Parent Compound | CHEMBL128187 |
| Active Moiety | CHEMBL128187 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.5
MW (Da)
5.53
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.67
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.49 | 7.49 | 32.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 32.7 | nM | 7.49 | 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