Compound Detail
CHEMBL176446
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Basic Information
| ChEMBL ID | CHEMBL176446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCDHSOYUIUINNE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
2.87
ALogP
3
HBA
0
HBD
65.9
PSA (Ų)
0.26
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.97 | 6.89 | 107.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 107.0 | nM | 6.97 | Binding affinity to 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-O... | 2137880 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 155.0 | nM | 6.81 | Binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampus using [3H... | 2137880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2137880 | 10.1021/jm00165a011 | 5-hydroxytryptamine receptor 1A | 2 |
Data from ChEMBL 36 via Core Engine