Compound Detail
CHEMBL55645
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Basic Information
| ChEMBL ID | CHEMBL55645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDHKUGRGWQZRIK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
460.4
MW (Da)
1.32
ALogP
7
HBA
2
HBD
90.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.8 | 6.8 | 158.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 7.943 | nM | 8.1 | Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned... | 12749888 |
| Alpha-1D adrenergic receptor | Ki | = | 63.1 | nM | 7.2 | Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned... | 12749888 |
| Alpha-1B adrenergic receptor | Ki | = | 158.49 | nM | 6.8 | 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 |
| 12749888 | 10.1016/s0960-894x(03)00305-6 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine