Compound Detail
CHEMBL303464
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Basic Information
| ChEMBL ID | CHEMBL303464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBMWRWYJANTSGH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
3.19
ALogP
8
HBA
0
HBD
76.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.51 | 7.51 | 31.1 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.83 | 6.83 | 147.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 1.4 | nM | 8.85 | In vitro binding affinity at human Alpha-1A adrenergic receptor. | 12825930 |
| Alpha-1D adrenergic receptor | Ki | = | 1.5 | nM | 8.82 | In vitro binding affinity at human Alpha-1D adrenergic receptor. | 12825930 |
| Alpha-1B adrenergic receptor | Ki | = | 31.1 | nM | 7.51 | In vitro binding affinity at human Alpha-1B adrenergic receptor. | 12825930 |
| Adrenergic receptor alpha-1 | Ki | = | 147.0 | nM | 6.83 | Binding affinity towards alpha-1 adrenergic receptor in rat cortex membrane usin... | 11405649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11405649 | 10.1021/jm010821u | Adrenergic receptor alpha-1 | 1 |
| 12825930 | 10.1021/jm0307741 | Alpha-1A adrenergic receptor | 1 |
| 12825930 | 10.1021/jm0307741 | Alpha-1B adrenergic receptor | 1 |
| 12825930 | 10.1021/jm0307741 | Alpha-1D adrenergic receptor | 1 |
| 12825930 | 10.1021/jm0307741 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine