Compound Detail
CHEMBL31824
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Basic Information
| ChEMBL ID | CHEMBL31824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYFSFKDRNAFNQF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
2.52
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.33 | 5.33 | 4700.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.18 | 5.18 | 6600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 4700.0 | nM | 5.33 | Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscin... | 2864446 |
| Adrenergic receptor alpha-1 | Ki | = | 6600.0 | nM | 5.18 | Binding affinity against alpha-1 adrenergic receptor in rat using [3H]prazosin a... | 2864446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2864446 | 10.1021/jm00148a005 | Adrenergic receptor alpha-1 | 1 |
| 2864446 | 10.1021/jm00148a005 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine