Compound Detail
CHEMBL492647
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Basic Information
| ChEMBL ID | CHEMBL492647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXCHMDJNSMDGIA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.47
ALogP
5
HBA
1
HBD
52.1
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.8
Ki 1 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.59 | 6.59 | 257.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 4.8 | 4.8 | 15848.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 257.04 | nM | 6.59 | Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A recept... | 18578476 |
| Alpha-2B adrenergic receptor | EC50 | = | 15848.93 | nM | 4.8 | Agonist activity at human recombinant adrenergic alpha2B receptor expressed in C... | 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 | 1 |
Data from ChEMBL 36 via Core Engine