Compound Detail
CHEMBL569933
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Basic Information
| ChEMBL ID | CHEMBL569933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBWFPEVESQMIBM-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
2.11
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.31
EC50 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 7.31 | 7.31 | 49.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 7.21 | 7.21 | 61.7 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 6.81 | 6.81 | 154.9 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.31 | 6.31 | 489.8 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.26 | 6.26 | 549.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 48.98 | nM | 7.31 | Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO ce... | 19886609 |
| Alpha-2B adrenergic receptor | EC50 | = | 61.66 | nM | 7.21 | Agonist activity at human alpha2B adrenoceptor expressed in CHO cells assessed a... | 19886609 |
| Alpha-2C adrenergic receptor | EC50 | = | 154.88 | nM | 6.81 | Agonist activity at human Alpha-2C adrenoceptor expressed in CHO cells assessed ... | 19886609 |
| Alpha-2C adrenergic receptor | Ki | = | 489.78 | nM | 6.31 | Displacement of [3H]RX821002 from human Alpha-2C adrenoceptor expressed in CHO c... | 19886609 |
| Alpha-2B adrenergic receptor | Ki | = | 549.54 | nM | 6.26 | Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO ce... | 19886609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19886609 | 10.1021/jm901262f | Alpha-2B adrenergic receptor | 3 |
| 19886609 | 10.1021/jm901262f | Alpha-2C adrenergic receptor | 3 |
| 19886609 | 10.1021/jm901262f | Alpha-2A adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine