Compound Detail
CHEMBL1956905
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Basic Information
| ChEMBL ID | CHEMBL1956905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTRWYVABSCIMJN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
2.35
ALogP
4
HBA
1
HBD
42.9
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 5.55 | 5.55 | 2818.4 | 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-2B adrenergic receptor | Ki | = | 2818.38 | nM | 5.55 | Displacement of [3H]RX821002 from human alpha2B adrenergic receptor expressed in... | 22370341 |
| Alpha-2C adrenergic receptor | Ki | = | 7413.1 | nM | 5.13 | Displacement of [3H]RX821002 from human Alpha-2C adrenergic receptor expressed i... | 22370341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22370341 | 10.1016/j.bmc.2012.02.016 | Alpha-2A adrenergic receptor | 2 |
| 22370341 | 10.1016/j.bmc.2012.02.016 | Alpha-2B adrenergic receptor | 2 |
| 22370341 | 10.1016/j.bmc.2012.02.016 | Alpha-2C adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine