Compound Detail
CHEMBL442045
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Basic Information
| ChEMBL ID | CHEMBL442045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPCJPADNVXIGHH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
2.52
ALogP
4
HBA
1
HBD
46.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.55 | 6.55 | 281.8 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.84 | 5.84 | 1445.4 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 5.57 | 5.57 | 2691.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 281.84 | nM | 6.55 | Displacement of [3H]RX821002 from human adrenergic alpha2A receptor expressed in... | 15566287 |
| Alpha-2C adrenergic receptor | Ki | = | 1445.44 | nM | 5.84 | Displacement of [3H]RX821002 from human adrenergic Alpha-2C receptor expressed i... | 15566287 |
| Alpha-2B adrenergic receptor | Ki | = | 2691.53 | nM | 5.57 | Displacement of [3H]RX821002 from human adrenergic alpha-2B receptor expressed i... | 15566287 |
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 |
Data from ChEMBL 36 via Core Engine