Compound Detail
CHEMBL111685
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Basic Information
| ChEMBL ID | CHEMBL111685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFSWDHAWKWSHQS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
387.6
MW (Da)
4.69
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 6.57 | 6.57 | 269.1 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Ki | 6.35 | 6.35 | 446.7 | 1 |
| Alpha-1B adrenergic receptor CHEMBL3122 | Ki | 6.05 | 6.05 | 891.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 269.15 | nM | 6.57 | In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxilla... | 15163201 |
| Alpha-1D adrenergic receptor | Ki | = | 446.68 | nM | 6.35 | In vitro binding affinity towards alpha-1D adrenergic receptor of rat clone in r... | 15163201 |
| Alpha-1B adrenergic receptor | Ki | = | 891.25 | nM | 6.05 | In vitro binding affinity towards alpha-1B adrenergic receptor of hamster clone ... | 15163201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163201 | 10.1021/jm030551a | Alpha-1A adrenergic receptor | 2 |
| 15163201 | 10.1021/jm030551a | Alpha-1B adrenergic receptor | 2 |
| 15163201 | 10.1021/jm030551a | Alpha-1D adrenergic receptor | 1 |
| 15163201 | 10.1021/jm030551a | Alpha adrenergic receptor 1A and 1B | 1 |
| 15163201 | 10.1021/jm030551a | Alpha adrenergic receptor 1A and 1D | 1 |
Data from ChEMBL 36 via Core Engine