Compound Detail
CHEMBL423018
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Basic Information
| ChEMBL ID | CHEMBL423018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFNOYNVDQOQPCY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
2.57
ALogP
6
HBA
2
HBD
99.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.7 | 6.7 | 199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor | Ki | = | 79.43 | nM | 7.1 | Binding affinity measured in CHO cells expressing human cloned Alpha-1B adrenerg... | 14584940 |
| Alpha-1A adrenergic receptor | Ki | = | 158.49 | nM | 6.8 | Binding affinity measured in CHO cells expressing human cloned Alpha-1A adrenerg... | 14584940 |
| Alpha-1D adrenergic receptor | Ki | = | 199.53 | nM | 6.7 | Binding affinity measured in CHO cells expressing human cloned Alpha-1D adrenerg... | 14584940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584940 | 10.1021/jm030952q | Alpha-1A adrenergic receptor | 2 |
| 14584940 | 10.1021/jm030952q | Alpha-1B adrenergic receptor | 2 |
| 14584940 | 10.1021/jm030952q | Alpha-1D adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine