Compound Detail
CHEMBL1956201
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Basic Information
| ChEMBL ID | CHEMBL1956201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQOROHPPKUMVNP-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
1.27
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.5
Ki 3 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | EC50 | 7.5 | 7.5 | 31.6 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 6.5 | 6.5 | 316.2 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.98 | 5.98 | 1047.1 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 5.68 | 5.68 | 2089.3 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.06 | 5.06 | 8709.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | EC50 | = | 31.62 | nM | 7.5 | Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed ... | 22341244 |
| Alpha-2C adrenergic receptor | EC50 | = | 100.0 | nM | 7.0 | Agonist activity at human adrenoceptor aplha 2C expressed in CHO cells assessed ... | 22341244 |
| Alpha-2B adrenergic receptor | EC50 | = | 316.23 | nM | 6.5 | Agonist activity at human adrenoceptor aplha 2B expressed in CHO cells assessed ... | 22341244 |
| Alpha-2A adrenergic receptor | Ki | = | 1047.13 | nM | 5.98 | Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2A expressed in C... | 22341244 |
| Alpha-2B adrenergic receptor | Ki | = | 2089.3 | nM | 5.68 | Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2B expressed in C... | 22341244 |
| Alpha-2C adrenergic receptor | Ki | = | 8709.64 | nM | 5.06 | Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2C expressed in C... | 22341244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22341244 | 10.1016/j.bmc.2012.01.035 | Alpha-2A adrenergic receptor | 3 |
| 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 |
Data from ChEMBL 36 via Core Engine