Compound Detail
CHEMBL49006
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 | CHEMBL49006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDPRQQOVVMNYFR-FGZHOGPDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
4.61
ALogP
3
HBA
1
HBD
23.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.93 | 7.93 | 11.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 11.75 | nM | 7.93 | Binding affinity at human 5-hydroxytryptamine 1A receptor by inhibition of [3H]8... | 11754589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11754589 | 10.1021/jm010975+ | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine