Compound Detail
CHEMBL105955
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 | CHEMBL105955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJDBTUIYFOHXHH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
3.11
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.89
Ki 1 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F CHEMBL1805 | Ki | 8.16 | 8.16 | 6.9 | 1 |
| 5-hydroxytryptamine receptor 1F CHEMBL1805 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F | Ki | = | 6.9 | nM | 8.16 | In vitro binding affinity was determined by radioligand binding assay using cell... | 12825944 |
| 5-hydroxytryptamine receptor 1F | EC50 | = | 13.0 | nM | 7.89 | In vitro effective concentration for stimulation of [35S]GTP-gamma-S, binding in... | 12825944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825944 | 10.1021/jm030020m | 5-hydroxytryptamine receptor 1F | 3 |
| 12825944 | 10.1021/jm030020m | Oryctolagus cuniculus | 2 |
| 12825944 | 10.1021/jm030020m | 5-hydroxytryptamine receptor 1A | 1 |
| 12825944 | 10.1021/jm030020m | 5-hydroxytryptamine receptor 1B | 1 |
| 12825944 | 10.1021/jm030020m | 5-hydroxytryptamine receptor 1D | 1 |
Data from ChEMBL 36 via Core Engine