Compound Detail
CHEMBL3609357
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Basic Information
| ChEMBL ID | CHEMBL3609357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVXYZHOVWRYDSQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
4.75
ALogP
2
HBA
1
HBD
22.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 8.44 | 8.44 | 3.6 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor | Ki | = | 3.6 | nM | 8.44 | Displacement of [3H]prazosin from alpha1B adrenoceptor in rat liver membranes | 26238322 |
| Alpha-1A adrenergic receptor | Ki | = | 50.0 | nM | 7.3 | Displacement of [3H]prazosin from alpha1A adrenoceptor in rat submaxillary gland... | 26238322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26238322 | 10.1016/j.bmcl.2015.07.046 | Alpha-1B adrenergic receptor | 1 |
| 26238322 | 10.1016/j.bmcl.2015.07.046 | Unchecked | 1 |
| 26238322 | 10.1016/j.bmcl.2015.07.046 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine