Compound Detail
CHEMBL374584
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Basic Information
| ChEMBL ID | CHEMBL374584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGMNRALXOWECNG-UHFFFAOYSA-N |
3
Targets
15
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
2.83
ALogP
4
HBA
2
HBD
53.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 9 meas. best 7.75
EC50 6 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 7.75 | 7.75 | 17.8 | 3 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 7.56 | 7.56 | 27.5 | 3 |
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 7.33 | 7.33 | 46.8 | 3 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.45 | 6.45 | 354.8 | 3 |
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 5.28 | 5.28 | 5248.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566287 | 10.1021/jm0408215 | Alpha-2C adrenergic receptor | 3 |
| 15566287 | 10.1021/jm0408215 | Alpha-2B adrenergic receptor | 3 |
| 15566287 | 10.1021/jm0408215 | Alpha-2A adrenergic receptor | 3 |
| 17630725 | 10.1021/jm061487a | Alpha-2A adrenergic receptor | 3 |
| 17630725 | 10.1021/jm061487a | Alpha-2B adrenergic receptor | 3 |
| 17630725 | 10.1021/jm061487a | Alpha-2C adrenergic receptor | 3 |
| 20925410 | 10.1021/jm100977d | Alpha-2B adrenergic receptor | 3 |
| 20925410 | 10.1021/jm100977d | Alpha-2C adrenergic receptor | 3 |
| 20925410 | 10.1021/jm100977d | Alpha-2A adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine