Compound Detail
CHEMBL4797460
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Basic Information
| ChEMBL ID | CHEMBL4797460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYKAGKFOYGISHK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
4.27
ALogP
5
HBA
1
HBD
57.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 6.79 | 6.79 | 163.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | IC50 | = | 163.6 | nM | 6.79 | Antagonist activity at human alpha1D receptor transfected in HEK293 cells co-tra... | 32949920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32949920 | 10.1016/j.ejmech.2020.112616 | Alpha-1A adrenergic receptor | 1 |
| 32949920 | 10.1016/j.ejmech.2020.112616 | Alpha-1B adrenergic receptor | 1 |
| 32949920 | 10.1016/j.ejmech.2020.112616 | Alpha-1D adrenergic receptor | 1 |
| 32949920 | 10.1016/j.ejmech.2020.112616 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine