Compound Detail
CHEMBL1956202
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Basic Information
| ChEMBL ID | CHEMBL1956202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHYRGWVECGKEOM-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
232.3
MW (Da)
1.66
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.2
Ki 3 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | EC50 | 7.2 | 7.2 | 63.1 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 6.7 | 6.7 | 199.5 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 6.53 | 6.53 | 295.1 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.99 | 5.99 | 1023.3 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 5.21 | 5.21 | 6165.9 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.13 | 5.13 | 7413.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | EC50 | = | 63.1 | nM | 7.2 | Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed ... | 22341244 |
| Alpha-2C adrenergic receptor | EC50 | = | 199.53 | nM | 6.7 | Agonist activity at human adrenoceptor aplha 2C expressed in CHO cells assessed ... | 22341244 |
| Alpha-2B adrenergic receptor | EC50 | = | 295.12 | nM | 6.53 | Agonist activity at human adrenoceptor aplha 2B expressed in CHO cells assessed ... | 22341244 |
| Alpha-2A adrenergic receptor | Ki | = | 1023.29 | nM | 5.99 | Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2A expressed in C... | 22341244 |
| Alpha-2B adrenergic receptor | Ki | = | 6165.95 | nM | 5.21 | Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2B expressed in C... | 22341244 |
| Alpha-2C adrenergic receptor | Ki | = | 7413.1 | nM | 5.13 | 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