Compound Detail
CHEMBL46788
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Basic Information
| ChEMBL ID | CHEMBL46788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKPWVASNNXQERU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
209.3
MW (Da)
2.95
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.15 | 6.15 | 711.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 711.0 | nM | 6.15 | Binding affinity was performed using [3H]ketanserin as the radioligand and stabl... | 11931619 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11931619 | 10.1021/jm010354g | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine