Compound Detail
CHEMBL1956198
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Basic Information
| ChEMBL ID | CHEMBL1956198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKXLKFXGMFJJAL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
232.3
MW (Da)
1.98
ALogP
4
HBA
1
HBD
42.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 6.2 | 6.2 | 631.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor | EC50 | = | 630.96 | nM | 6.2 | Agonist activity at human adrenoceptor aplha 2C expressed in CHO cells assessed ... | 22341244 |
| Alpha-2B adrenergic receptor | EC50 | = | 3162.28 | nM | 5.5 | Agonist activity at human adrenoceptor aplha 2B expressed in CHO cells assessed ... | 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