Compound Detail
CHEMBL297106
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Basic Information
| ChEMBL ID | CHEMBL297106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVEKKXRFQCNLQE-ZEQRLZLVSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
4.25
ALogP
6
HBA
1
HBD
58.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL319 | Kd | 8.24 | 8.235 | 5.8 | 2 |
| Alpha-1D adrenergic receptor CHEMBL326 | Kd | 7.49 | 7.49 | 32.4 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Kd | 5.6 | 5.6 | 2511.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Kd | = | 5.754 | nM | 8.24 | Antagonistic affinity tested against isolated Rat Prostatic Vas Deferens Alpha-1... | 11931617 |
| Alpha-1A adrenergic receptor | Kd | = | 5.888 | nM | 8.23 | Antagonistic affinity tested against isolated Rat Prostate Alpha-1A adrenergic r... | 11931617 |
| Alpha-1D adrenergic receptor | Kd | = | 32.36 | nM | 7.49 | Antagonistic affinity tested against isolated Rat Thoracic Aorta Alpha-1D adrene... | 11931617 |
| Alpha-1B adrenergic receptor | Kd | = | 2511.89 | nM | 5.6 | Antagonistic affinity tested against isolated Rat Spleen Alpha-1B adrenergic rec... | 11931617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11931617 | 10.1021/jm011066n | Alpha-1A adrenergic receptor | 2 |
| 11931617 | 10.1021/jm011066n | Alpha-1B adrenergic receptor | 1 |
| 11931617 | 10.1021/jm011066n | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine