Compound Detail
CHEMBL161065
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Basic Information
| ChEMBL ID | CHEMBL161065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGEUXHRMHNHJHJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
3.88
ALogP
4
HBA
0
HBD
28.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 8.75 | 8.75 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 1.778 | nM | 8.75 | Antagonism against Alpha-1 adrenergic receptor of rat aorta | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00092-8 | 5-hydroxytryptamine receptor 2A | 1 |
| - | 10.1016/0960-894X(95)00092-8 | Adrenergic receptor alpha-1 | 1 |
| - | 10.1016/0960-894X(95)00092-8 | Histamine H1 receptor | 1 |
| - | 10.1016/0960-894X(95)00092-8 | Muscarinic acetylcholine receptor M3 | 1 |
| - | 10.1016/0960-894X(95)00092-8 | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine