Compound Detail
CHEMBL266613
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Basic Information
| ChEMBL ID | CHEMBL266613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAEHQHNTEAMXQC-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
232.3
MW (Da)
2.58
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.14
EC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 7.14 | 7.14 | 72.4 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 6.6 | 6.6 | 251.2 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 6.4 | 6.4 | 398.1 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.34 | 6.34 | 457.1 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.03 | 6.03 | 933.2 | 1 |
| Nischarin CHEMBL3923 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 72.44 | nM | 7.14 | Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2A expressed in C... | 22341244 |
| Alpha-2B adrenergic receptor | EC50 | = | 251.19 | nM | 6.6 | Agonist activity at human adrenoceptor aplha 2B expressed in CHO cells assessed ... | 22341244 |
| Alpha-2C adrenergic receptor | EC50 | = | 398.11 | nM | 6.4 | Agonist activity at human adrenoceptor aplha 2C expressed in CHO cells assessed ... | 22341244 |
| Alpha-2C adrenergic receptor | Ki | = | 457.09 | nM | 6.34 | Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2C expressed in C... | 22341244 |
| Alpha-2B adrenergic receptor | Ki | = | 933.25 | nM | 6.03 | Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2B expressed in C... | 22341244 |
| Nischarin | Ki | = | 5011.87 | nM | 5.3 | Binding affinity for imidazoline receptor I-2 in rabbit kidney homogenate (relat... | 10737743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22341244 | 10.1016/j.bmc.2012.01.035 | Alpha-2B adrenergic receptor | 3 |
| 22341244 | 10.1016/j.bmc.2012.01.035 | Alpha-2C adrenergic receptor | 3 |
| 22341244 | 10.1016/j.bmc.2012.01.035 | Alpha-2A adrenergic receptor | 2 |
| 10737743 | 10.1021/jm991124t | Nischarin | 1 |
Data from ChEMBL 36 via Core Engine