Compound Detail
CHEMBL1956203
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1956203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCFVUTASHGKCKL-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
4.79
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.31
EC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 7.1 | 7.1 | 79.4 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 6.7 | 6.7 | 199.5 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.31 | 6.31 | 489.8 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 5.34 | 5.34 | 4570.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor | EC50 | = | 79.43 | nM | 7.1 | Agonist activity at human adrenoceptor aplha 2C expressed in CHO cells assessed ... | 22341244 |
| Alpha-2B adrenergic receptor | EC50 | = | 199.53 | nM | 6.7 | Agonist activity at human adrenoceptor aplha 2B expressed in CHO cells assessed ... | 22341244 |
| Alpha-2A adrenergic receptor | Ki | = | 489.78 | nM | 6.31 | Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2A expressed in C... | 22341244 |
| Alpha-2C adrenergic receptor | Ki | = | 630.96 | nM | 6.2 | Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2C expressed in C... | 22341244 |
| Alpha-2B adrenergic receptor | Ki | = | 4570.88 | nM | 5.34 | Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2B expressed in C... | 22341244 |
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 |
Data from ChEMBL 36 via Core Engine