Compound Detail
CHEMBL104484
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Basic Information
| ChEMBL ID | CHEMBL104484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDOSRLXPFHPFFJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.50
ALogP
4
HBA
2
HBD
84.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F CHEMBL1805 | Ki | 8.14 | 8.14 | 7.2 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 6.51 | 6.51 | 310.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F | Ki | = | 7.2 | nM | 8.14 | In vitro binding affinity was determined by radioligand binding assay using cell... | 12825944 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 31.0 | nM | 7.51 | In vitro binding affinity by radioligand binding assay using cell line expressin... | 12825944 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 310.0 | nM | 6.51 | In vitro binding affinity by radioligand binding assay using cell line expressin... | 12825944 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 380.0 | nM | 6.42 | In vitro binding affinity by radioligand binding assay using cell line expressin... | 12825944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825944 | 10.1021/jm030020m | Oryctolagus cuniculus | 2 |
| 12825944 | 10.1021/jm030020m | 5-hydroxytryptamine receptor 1F | 1 |
| 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 |
| 12825944 | 10.1021/jm030020m | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine