Compound Detail
CHEMBL477945
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Basic Information
| ChEMBL ID | CHEMBL477945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPYSGTOGRJIZHL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.9
MW (Da)
3.42
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.86 | 6.86 | 137.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.64 | 6.64 | 227.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 137.0 | nM | 6.86 | Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membrane | 18603331 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 227.0 | nM | 6.64 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane | 18603331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18603331 | 10.1016/j.ejmech.2008.05.021 | 5-hydroxytryptamine receptor 1A | 1 |
| 18603331 | 10.1016/j.ejmech.2008.05.021 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine