Compound Detail
CHEMBL5523596
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Basic Information
| ChEMBL ID | CHEMBL5523596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYDOWYCHIWNYQO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
254.7
MW (Da)
4.63
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 8.08 | 8.08 | 8.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 8.318 | nM | 8.08 | Binding affinity to human alpha2A-adrenoceptor | 38889119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38889119 | 10.1021/acs.jmedchem.4c01239 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine