Compound Detail
CHEMBL301078
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Basic Information
| ChEMBL ID | CHEMBL301078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STIKULJYVCUQJQ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
468.0
MW (Da)
2.48
ALogP
9
HBA
1
HBD
79.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.82 | 7.82 | 15.2 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.79 | 7.79 | 16.3 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.13 | 7.13 | 73.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 1.1 | nM | 8.96 | The compound was tested for binding affinity on [3H]- prazosin as specific ligan... | 9888842 |
| Alpha-1D adrenergic receptor | Ki | = | 3.04 | nM | 8.52 | The compound was tested for binding affinity on [3H]- prazosin as specific ligan... | 9888842 |
| Alpha-1B adrenergic receptor | Ki | = | 15.2 | nM | 7.82 | The compound was tested for binding affinity on [3H]- prazosin as specific ligan... | 9888842 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 16.3 | nM | 7.79 | The compound was tested for binding affinity on [3H]8-OH-DPAT as specific ligand... | 9888842 |
| Adrenergic receptor alpha-1 | Ki | = | 73.3 | nM | 7.13 | The compound was tested for binding affinity on [3H]- prazosin as specific ligan... | 9888842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9888842 | 10.1021/jm981006q | Adrenergic receptor alpha-1 | 1 |
| 9888842 | 10.1021/jm981006q | 5-hydroxytryptamine receptor 1A | 1 |
| 9888842 | 10.1021/jm981006q | Alpha-1A adrenergic receptor | 1 |
| 9888842 | 10.1021/jm981006q | Alpha-1B adrenergic receptor | 1 |
| 9888842 | 10.1021/jm981006q | Alpha-1D adrenergic receptor | 1 |
| 9888842 | 10.1021/jm981006q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine