Compound Detail
CHEMBL4459403
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CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)C(=O)C21
Basic Information
| ChEMBL ID | CHEMBL4459403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAHUODHTDBMEAI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
529.7
MW (Da)
5.96
ALogP
6
HBA
0
HBD
85.3
PSA (Ų)
0.33
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.16 | 5.16 | 6918.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 6918.31 | nM | 5.16 | 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 | Alpha-2A adrenergic receptor | 1 |
| 32150414 | 10.1021/acs.jmedchem.9b02080 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine