Compound Detail
CHEMBL1276219
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Basic Information
| ChEMBL ID | CHEMBL1276219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYCJTZDZQXSXSC-SNVBAGLBSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
2.33
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.35
EC50 2 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 7.35 | 7.35 | 44.7 | 2 |
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 6.9 | 6.9 | 125.9 | 2 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.9 | 6.9 | 125.9 | 2 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.25 | 6.25 | 562.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 44.67 | nM | 7.35 | Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO ce... | 20925410 |
| Alpha-2A adrenergic receptor | Ki | = | 44.67 | nM | 7.35 | Binding affinity at human alpha2A AR | 24900763 |
| Alpha-2C adrenergic receptor | EC50 | = | 125.89 | nM | 6.9 | Agonist activity at human Alpha-2C adrenoceptor expressed in CHO cells assessed ... | 20925410 |
| Alpha-2C adrenergic receptor | EC50 | = | 125.89 | nM | 6.9 | Agonist activity at human alpha2C AR | 24900763 |
| Alpha-2C adrenergic receptor | Ki | = | 125.89 | nM | 6.9 | Displacement of [3H]RX821002 from human Alpha-2C adrenoceptor expressed in CHO c... | 20925410 |
| Alpha-2C adrenergic receptor | Ki | = | 125.89 | nM | 6.9 | Binding affinity at human alpha2C AR | 24900763 |
| Alpha-2B adrenergic receptor | Ki | = | 562.34 | nM | 6.25 | Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO ce... | 20925410 |
| Alpha-2B adrenergic receptor | Ki | = | 562.34 | nM | 6.25 | Binding affinity at human alpha2B AR | 24900763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20925410 | 10.1021/jm100977d | Alpha-2B adrenergic receptor | 3 |
| 20925410 | 10.1021/jm100977d | Alpha-2C adrenergic receptor | 3 |
| 24900763 | 10.1021/ml400232p | Alpha-2C adrenergic receptor | 3 |
| 20925410 | 10.1021/jm100977d | Alpha-2A adrenergic receptor | 2 |
| 20925410 | 10.1021/jm100977d | Mus musculus | 2 |
| 24900763 | 10.1021/ml400232p | Alpha-2B adrenergic receptor | 2 |
| 24900763 | 10.1021/ml400232p | Alpha-2A adrenergic receptor | 2 |
| 24900763 | 10.1021/ml400232p | Mus musculus | 1 |
| 24900763 | 10.1021/ml400232p | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine