Compound Detail
CHEMBL417758
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Basic Information
| ChEMBL ID | CHEMBL417758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRHNWNVQLGTXTE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
2.63
ALogP
6
HBA
1
HBD
70.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.4 | 6.4 | 398.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 3.981 | nM | 8.4 | Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned... | 12749888 |
| Alpha-1D adrenergic receptor | Ki | = | 125.89 | nM | 6.9 | Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned... | 12749888 |
| Alpha-1B adrenergic receptor | Ki | = | 398.11 | nM | 6.4 | Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned... | 12749888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12749888 | 10.1016/s0960-894x(03)00305-6 | Alpha-1A adrenergic receptor | 2 |
| 12749888 | 10.1016/s0960-894x(03)00305-6 | Adrenergic receptors; alpha-1 A & B | 2 |
| 12749888 | 10.1016/s0960-894x(03)00305-6 | Alpha-1D adrenergic receptor | 2 |
| 12749888 | 10.1016/s0960-894x(03)00305-6 | Alpha-1B adrenergic receptor | 1 |
| 12749888 | 10.1016/s0960-894x(03)00305-6 | Alpha adrenergic receptor (1a and 1d) | 1 |
Data from ChEMBL 36 via Core Engine