Compound Detail
CHEMBL4788144
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Basic Information
| ChEMBL ID | CHEMBL4788144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SADGWXRWSBZIIA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
468.0
MW (Da)
5.69
ALogP
4
HBA
1
HBD
48.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | IC50 | 7.48 | 7.48 | 32.9 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 6.48 | 6.48 | 329.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.21 | 6.21 | 612.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | IC50 | = | 32.9 | nM | 7.48 | Antagonist activity at human alpha1A receptor transfected in HEK293 cells co-tra... | 32949920 |
| Alpha-1D adrenergic receptor | IC50 | = | 329.0 | nM | 6.48 | Antagonist activity at human alpha1D receptor transfected in HEK293 cells co-tra... | 32949920 |
| Unchecked | IC50 | = | 612.3 | nM | 6.21 | Inhibition of 5-alpha reductase in rat liver microsomes assessed as inhibition o... | 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