Compound Detail
CHEMBL47013
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Basic Information
| ChEMBL ID | CHEMBL47013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IARSIFGESCFKQY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
410.3
MW (Da)
4.43
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.68
Ki 1 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.24 | 9.24 | 0.6 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 7.68 | 7.68 | 20.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.5754 | nM | 9.24 | Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H... | 10229633 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 20.89 | nM | 7.68 | In vitro effective concentration required to inhibit forskolin-stimulated cAMP l... | 10229633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10229633 | 10.1021/jm9806906 | 5-hydroxytryptamine receptor 1A | 2 |
| 10229633 | 10.1021/jm9806906 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine