Compound Detail
CHEMBL451229
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Basic Information
| ChEMBL ID | CHEMBL451229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIMQFOFQYZBTDB-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.4
MW (Da)
3.50
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
EC50 3 meas. best 7.68
Ki 3 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 7.68 | 7.68 | 20.9 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 7.13 | 7.13 | 74.1 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 7.11 | 7.11 | 77.6 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | EC50 | 7.1 | 7.1 | 79.4 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.72 | 6.72 | 190.6 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 6.7 | 6.7 | 199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor | EC50 | = | 20.89 | nM | 7.68 | Agonist activity at human recombinant adrenergic Alpha-2C receptor expressed in ... | 18578476 |
| Alpha-2A adrenergic receptor | Ki | = | 74.13 | nM | 7.13 | Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A recept... | 18578476 |
| Alpha-2C adrenergic receptor | Ki | = | 77.62 | nM | 7.11 | Displacement of [3H]RS79948-197 from human recombinant adrenergic Alpha-2C recep... | 18578476 |
| Alpha-2A adrenergic receptor | EC50 | = | 79.43 | nM | 7.1 | Agonist activity at human recombinant adrenergic alpha2A receptor expressed in C... | 18578476 |
| Alpha-2B adrenergic receptor | Ki | = | 190.55 | nM | 6.72 | Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2B recept... | 18578476 |
| Alpha-2B adrenergic receptor | EC50 | = | 199.53 | nM | 6.7 | 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 | 3 |
| 18578476 | 10.1021/jm800250z | Alpha-2B adrenergic receptor | 3 |
| 18578476 | 10.1021/jm800250z | Alpha-2C adrenergic receptor | 3 |
Data from ChEMBL 36 via Core Engine