Compound Detail
CHEMBL4163810
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Basic Information
| ChEMBL ID | CHEMBL4163810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZORUWSOGKMFNY-VIFPVBQESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
1.16
ALogP
7
HBA
2
HBD
99.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.55 | 7.55 | 28.2 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.26 | 7.26 | 55.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.72 | 6.72 | 190.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 28.18 | nM | 7.55 | Displacement of [3H]prazosin from human alpha1D adrenoceptor expressed in CHO ce... | 28499171 |
| Alpha-1B adrenergic receptor | Ki | = | 54.95 | nM | 7.26 | Displacement of [3H]prazosin from human alpha1B adrenoceptor expressed in CHO ce... | 28499171 |
| Alpha-1A adrenergic receptor | Ki | = | 190.55 | nM | 6.72 | Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO ce... | 28499171 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28499171 | 10.1016/j.ejmech.2017.05.003 | LNCaP | 5 |
| 28499171 | 10.1016/j.ejmech.2017.05.003 | Panel NCI-60 (60 carcinoma cell lines) | 1 |
| 28499171 | 10.1016/j.ejmech.2017.05.003 | Alpha-1D adrenergic receptor | 1 |
| 28499171 | 10.1016/j.ejmech.2017.05.003 | Alpha-1B adrenergic receptor | 1 |
| 28499171 | 10.1016/j.ejmech.2017.05.003 | Alpha-1A adrenergic receptor | 1 |
| 28499171 | 10.1016/j.ejmech.2017.05.003 | DU-145 | 1 |
| 28499171 | 10.1016/j.ejmech.2017.05.003 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine