Compound Detail
CHEMBL5517941
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Basic Information
| ChEMBL ID | CHEMBL5517941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGXYGEYUGTVZAR-GFCCVEGCSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
236.7
MW (Da)
1.91
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 9.6 | 9.6 | 0.3 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 9.5 | 9.5 | 0.3 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 9.5 | 9.5 | 0.3 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.7 | 7.7 | 19.9 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.6 | 7.6 | 25.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2B adrenergic receptor | Ki | = | 0.2512 | nM | 9.6 | Binding affinity to human alpha2B-adrenoceptor | 38889119 |
| Alpha-2A adrenergic receptor | Ki | = | 0.3162 | nM | 9.5 | Binding affinity to human alpha2A-adrenoceptor | 38889119 |
| Alpha-2C adrenergic receptor | Ki | = | 0.3162 | nM | 9.5 | Binding affinity to human alpha2C-adrenoceptor | 38889119 |
| Alpha-1A adrenergic receptor | Ki | = | 3.981 | nM | 8.4 | Binding affinity to human alpha1A-adrenoceptor | 38889119 |
| Alpha-1B adrenergic receptor | Ki | = | 19.95 | nM | 7.7 | Binding affinity to human alpha1B-adrenoceptor | 38889119 |
| Alpha-1D adrenergic receptor | Ki | = | 25.12 | nM | 7.6 | Binding affinity to human alpha1D-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 |
| 38889119 | 10.1021/acs.jmedchem.4c01239 | Alpha-2C adrenergic receptor | 1 |
| 38889119 | 10.1021/acs.jmedchem.4c01239 | Alpha-1A adrenergic receptor | 1 |
| 38889119 | 10.1021/acs.jmedchem.4c01239 | Alpha-1B adrenergic receptor | 1 |
| 38889119 | 10.1021/acs.jmedchem.4c01239 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine