Compound Detail
CHEMBL73164
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Basic Information
| ChEMBL ID | CHEMBL73164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBHGSUXQIQVLPX-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
293.1
MW (Da)
2.19
ALogP
5
HBA
1
HBD
59.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 4.58 | 4.58 | 26302.7 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 4.31 | 4.31 | 48977.9 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 4.07 | 4.07 | 85113.8 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 4.04 | 4.04 | 91201.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 26302.68 | nM | 4.58 | Binding affinity for human Alpha-2A adrenergic receptor from cultured LM(tk-) ce... | - |
| Alpha-2C adrenergic receptor | Ki | = | 48977.88 | nM | 4.31 | Binding affinity for human Alpha-2C adrenergic receptor from cultured LM(tk-) ce... | - |
| Alpha-2B adrenergic receptor | Ki | = | 85113.8 | nM | 4.07 | Binding affinity for human Alpha-2B adrenergic receptor from cultured Y-1 cells ... | - |
| Alpha-1A adrenergic receptor | Ki | = | 91201.08 | nM | 4.04 | Binding affinity for human Alpha-1A adrenergic receptor from cultured LM(tk-) ce... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00391-6 | Alpha-2A adrenergic receptor | 3 |
| - | 10.1016/0960-894X(95)00391-6 | Alpha-2B adrenergic receptor | 3 |
| - | 10.1016/0960-894X(95)00391-6 | Alpha-2C adrenergic receptor | 3 |
| - | 10.1016/0960-894X(95)00391-6 | Alpha-1A adrenergic receptor | 1 |
| - | 10.1016/0960-894X(95)00391-6 | Alpha-1B adrenergic receptor | 1 |
| - | 10.1016/0960-894X(95)00391-6 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine