Compound Detail
CHEMBL297208
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Basic Information
| ChEMBL ID | CHEMBL297208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFNJIQKZFHYCNT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.4
MW (Da)
4.11
ALogP
6
HBA
1
HBD
86.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.79
Ki 1 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.16 | 8.16 | 6.9 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 6.79 | 6.79 | 162.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 6.918 | nM | 8.16 | Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H... | 10229633 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 162.18 | nM | 6.79 | 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