Compound Detail
CHEMBL4476557
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CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)C21
Basic Information
| ChEMBL ID | CHEMBL4476557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHEYAZQEOLSQKE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
494.4
MW (Da)
5.01
ALogP
6
HBA
0
HBD
85.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 4.73 | 4.73 | 18620.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 18620.87 | nM | 4.73 | Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incuba... | 32150414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32150414 | 10.1021/acs.jmedchem.9b02080 | Unchecked | 1 |
| 32150414 | 10.1021/acs.jmedchem.9b02080 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine