Compound Detail
CHEMBL327116
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Basic Information
| ChEMBL ID | CHEMBL327116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBMAPNYYKCUOGH-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
2.64
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2B adrenergic receptor CHEMBL266 | Ki | 7.65 | 7.65 | 22.4 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 7.64 | 7.64 | 22.9 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Ki | 6.47 | 6.47 | 338.8 | 1 |
| Alpha-1B adrenergic receptor CHEMBL3122 | Ki | 5.87 | 5.87 | 1349.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 5.69 | 5.69 | 2041.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2B adrenergic receptor | Ki | = | 22.39 | nM | 7.65 | In vitro binding affinity towards alpha-2B adrenergic receptor of rat neonatal l... | 15163201 |
| Alpha-2A adrenergic receptor | Ki | = | 22.91 | nM | 7.64 | In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in... | 15163201 |
| Alpha-1D adrenergic receptor | Ki | = | 338.84 | nM | 6.47 | In vitro binding affinity towards alpha-1D adrenergic receptor of rat clone in r... | 15163201 |
| Alpha-1B adrenergic receptor | Ki | = | 1348.96 | nM | 5.87 | In vitro binding affinity towards alpha-1B adrenergic receptor of hamster clone ... | 15163201 |
| Alpha-1A adrenergic receptor | Ki | = | 2041.74 | nM | 5.69 | In vitro binding affinity towards alpha-1A adrenergic receptor of bovine clone i... | 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-2A adrenergic receptor | 2 |
| 15163201 | 10.1021/jm030551a | Unchecked | 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 |
| 15163201 | 10.1021/jm030551a | Alpha-2B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine