Compound Detail
CHEMBL494885
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Basic Information
| ChEMBL ID | CHEMBL494885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OABROWXKGQFLDH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
2.81
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 7.32 | 7.32 | 47.9 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 7.19 | 7.19 | 64.6 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 7.03 | 7.03 | 93.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2B adrenergic receptor | Ki | = | 47.86 | nM | 7.32 | Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2B recept... | 18578476 |
| Alpha-2C adrenergic receptor | Ki | = | 64.57 | nM | 7.19 | Displacement of [3H]RS79948-197 from human recombinant adrenergic Alpha-2C recep... | 18578476 |
| Alpha-2A adrenergic receptor | Ki | = | 93.33 | nM | 7.03 | Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A recept... | 18578476 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18578476 | 10.1021/jm800250z | Alpha-2A adrenergic receptor | 2 |
| 18578476 | 10.1021/jm800250z | Alpha-2B adrenergic receptor | 2 |
| 18578476 | 10.1021/jm800250z | Alpha-2C adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine