Compound Detail
CHEMBL467525
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Basic Information
| ChEMBL ID | CHEMBL467525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNWVOPOAKHMIHV-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
1.10
ALogP
4
HBA
3
HBD
48.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.21
Ki 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2095158 | Ki | 7.27 | 7.27 | 53.7 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2095158 | EC50 | 4.21 | 4.21 | 61400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 53.7 | nM | 7.27 | Displacement of [3H]RX821002 from alpha2 adrenoceptor in human prefrontal cortex... | 19133776 |
| Adrenergic receptor alpha-2 | EC50 | = | 61400.0 | nM | 4.21 | Agonist activity at alpha2 adrenoceptor in human cortical membrane after 2 hrs b... | 19133776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19133776 | 10.1021/jm800838r | Adrenergic receptor alpha-2 | 3 |
Data from ChEMBL 36 via Core Engine