Compound Detail
CHEMBL7185
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Basic Information
| ChEMBL ID | CHEMBL7185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTKDYAXITHKMGK-GMSGAONNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
195.2
MW (Da)
0.40
ALogP
4
HBA
4
HBD
86.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.05 | 7.05 | 90.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL3373 | Ki | 4.15 | 4.15 | 71000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 90.0 | nM | 7.05 | Binding affinity towards Alpha-2 adrenergic receptor of rat brain | 1313109 |
| Adrenergic receptor alpha-1 | Ki | = | 300.0 | nM | 6.52 | Binding affinity towards Alpha-1 adrenergic receptor of rat brain | 1313109 |
| Beta-2 adrenergic receptor | Ki | = | 71000.0 | nM | 4.15 | Compound was evaluated for beta adrenergic binding affinity towards Beta-2 adren... | 1313109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1313109 | 10.1021/jm00084a006 | Adrenergic receptor alpha-1 | 3 |
| 1313109 | 10.1021/jm00084a006 | Adrenergic receptor alpha-2 | 3 |
| 1313109 | 10.1021/jm00084a006 | Beta-1 adrenergic receptor | 3 |
| 1313109 | 10.1021/jm00084a006 | Beta-2 adrenergic receptor | 3 |
Data from ChEMBL 36 via Core Engine