Compound Detail
CHEMBL5517987
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Basic Information
| ChEMBL ID | CHEMBL5517987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOJPEWKNYNURQQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
185.3
MW (Da)
2.16
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 7.22 | 7.22 | 60.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 12.02 | nM | 7.92 | Binding affinity to human alpha2A-adrenoceptor | 38889119 |
| Alpha-2B adrenergic receptor | Ki | = | 60.26 | nM | 7.22 | Binding affinity to human alpha2B-adrenoceptor | 38889119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38889119 | 10.1021/acs.jmedchem.4c01239 | Alpha-2A adrenergic receptor | 1 |
| 38889119 | 10.1021/acs.jmedchem.4c01239 | Alpha-2B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine