Compound Detail
CHEMBL74342
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Basic Information
| ChEMBL ID | CHEMBL74342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIYQUCZRQJRHHG-AOOOYVTPSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
346.2
MW (Da)
3.07
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 4.94 | 4.94 | 11481.5 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 4.85 | 4.85 | 14125.4 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 4.83 | 4.83 | 14791.1 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 4.74 | 4.74 | 18197.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 4.38 | 4.38 | 41686.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor | Ki | = | 11481.54 | nM | 4.94 | Binding affinity for human Alpha-2C adrenergic receptor from cultured LM(tk-) ce... | - |
| Alpha-1A adrenergic receptor | Ki | = | 14125.38 | nM | 4.85 | Binding affinity for human Alpha-1A adrenergic receptor from cultured LM(tk-) ce... | - |
| Alpha-2A adrenergic receptor | Ki | = | 14791.08 | nM | 4.83 | Binding affinity for human Alpha-2A adrenergic receptor from cultured LM(tk-) ce... | - |
| Alpha-2B adrenergic receptor | Ki | = | 18197.01 | nM | 4.74 | Binding affinity for human Alpha-2B adrenergic receptor from cultured Y-1 cells ... | - |
| Alpha-1D adrenergic receptor | Ki | = | 41686.94 | nM | 4.38 | Binding affinity for human Alpha-1D 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