Compound Detail
CHEMBL523048
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Basic Information
| ChEMBL ID | CHEMBL523048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXOSLSPHUHLICG-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
4.48
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.69
EC50 2 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.69 | 6.69 | 204.2 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.62 | 6.62 | 239.9 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 6.11 | 6.11 | 776.2 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.02 | 6.02 | 955.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor | Ki | = | 204.17 | nM | 6.69 | Displacement of [3H]RS79948-197 from human recombinant adrenergic Alpha-2C recep... | 18578476 |
| Alpha-2A adrenergic receptor | Ki | = | 239.88 | nM | 6.62 | Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A recept... | 18578476 |
| Alpha-2C adrenergic receptor | EC50 | = | 776.25 | nM | 6.11 | Agonist activity at human recombinant adrenergic Alpha-2C receptor expressed in ... | 18578476 |
| Alpha-2B adrenergic receptor | Ki | = | 954.99 | nM | 6.02 | Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2B recept... | 18578476 |
| Alpha-2A adrenergic receptor | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at human recombinant adrenergic alpha2A receptor expressed in C... | 18578476 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18578476 | 10.1021/jm800250z | Alpha-2A adrenergic receptor | 3 |
| 18578476 | 10.1021/jm800250z | Alpha-2C adrenergic receptor | 3 |
| 18578476 | 10.1021/jm800250z | Alpha-2B adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine