Compound Detail
CHEMBL222973
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Basic Information
| ChEMBL ID | CHEMBL222973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OITKDPXYSUWTOJ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
3.43
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.29
EC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 7.29 | 7.29 | 51.3 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.61 | 6.61 | 245.5 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.27 | 6.27 | 537.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 51.29 | nM | 7.29 | Displacement of [3H]RX821002 from human adrenergic alpha2A receptor expressed in... | 15566287 |
| Alpha-2C adrenergic receptor | Ki | = | 245.47 | nM | 6.61 | Displacement of [3H]RX821002 from human adrenergic Alpha-2C receptor expressed i... | 15566287 |
| Alpha-2B adrenergic receptor | Ki | = | 537.03 | nM | 6.27 | Displacement of [3H]RX821002 from human adrenergic alpha-2B receptor expressed i... | 15566287 |
| Alpha-2C adrenergic receptor | EC50 | = | 1584.89 | nM | 5.8 | Agonist activity at human adrenergic alpha-2C receptor expressed in CHO cells as... | 15566287 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566287 | 10.1021/jm0408215 | Alpha-2C adrenergic receptor | 3 |
| 15566287 | 10.1021/jm0408215 | Alpha-2B adrenergic receptor | 3 |
| 15566287 | 10.1021/jm0408215 | Alpha-2A adrenergic receptor | 3 |
Data from ChEMBL 36 via Core Engine