Compound Detail
CHEMBL576078
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Basic Information
| ChEMBL ID | CHEMBL576078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKZOGIXOGHVXNW-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
232.3
MW (Da)
2.68
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.3
EC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 7.6 | 7.6 | 25.1 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 7.3 | 7.3 | 50.1 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.83 | 6.83 | 147.9 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.27 | 6.27 | 537.0 | 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 | = | 25.12 | nM | 7.6 | Agonist activity at human Alpha-2C adrenoceptor expressed in CHO cells assessed ... | 19886609 |
| Alpha-2A adrenergic receptor | Ki | = | 50.12 | nM | 7.3 | Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO ce... | 19886609 |
| Alpha-2C adrenergic receptor | Ki | = | 147.91 | nM | 6.83 | Displacement of [3H]RX821002 from human Alpha-2C adrenoceptor expressed in CHO c... | 19886609 |
| Alpha-2B adrenergic receptor | Ki | = | 537.03 | nM | 6.27 | Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO ce... | 19886609 |
| Alpha-2B adrenergic receptor | EC50 | = | 3162.28 | nM | 5.5 | Agonist activity at human alpha2B adrenoceptor expressed in CHO cells assessed a... | 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