Compound Detail
CHEMBL1956200
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 | CHEMBL1956200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUVSDNNKXQXCRO-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
0.86
ALogP
5
HBA
1
HBD
67.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.5
Ki 3 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 6.5 | 6.5 | 316.2 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | EC50 | 6.25 | 6.25 | 562.3 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.42 | 5.42 | 3801.9 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 4.29 | 4.29 | 51286.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor | EC50 | = | 316.23 | nM | 6.5 | Agonist activity at human adrenoceptor aplha 2C expressed in CHO cells assessed ... | 22341244 |
| Alpha-2A adrenergic receptor | EC50 | = | 562.34 | nM | 6.25 | Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed ... | 22341244 |
| Alpha-2A adrenergic receptor | Ki | = | 3162.28 | nM | 5.5 | Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2A expressed in C... | 22341244 |
| Alpha-2C adrenergic receptor | Ki | = | 3801.89 | nM | 5.42 | Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2C expressed in C... | 22341244 |
| Alpha-2B adrenergic receptor | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity at human adrenoceptor aplha 2B expressed in CHO cells assessed ... | 22341244 |
| Alpha-2B adrenergic receptor | Ki | = | 51286.14 | nM | 4.29 | 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-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