Compound Detail
CHEMBL46697
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Basic Information
| ChEMBL ID | CHEMBL46697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNMHCCSTZBRPCO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
378.3
MW (Da)
4.03
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.58 | 7.58 | 26.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 26.3 | nM | 7.58 | Binding affinity for rat cortex 5-hydroxytryptamine 1A receptor, by displacement... | 9836623 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 26.3 | nM | 7.58 | Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H... | 10229633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10229633 | 10.1021/jm9806906 | Rattus norvegicus | 2 |
| 9836623 | 10.1021/jm9804329 | 5-hydroxytryptamine receptor 1A | 1 |
| 10229633 | 10.1021/jm9806906 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine