Compound Detail
CHEMBL61325
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Basic Information
| ChEMBL ID | CHEMBL61325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGEFIXIHFLIXCM-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
1.22
ALogP
4
HBA
1
HBD
42.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 8.62 | 7.7633 | 2.4 | 3 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.54 | 5.9233 | 285.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 2.4 | nM | 8.62 | Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cer... | 2876101 |
| Adrenergic receptor alpha-2 | Ki | = | 4.4 | nM | 8.36 | Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cer... | 2876101 |
| Adrenergic receptor alpha-1 | Ki | = | 285.0 | nM | 6.54 | Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cer... | 2876101 |
| Adrenergic receptor alpha-1 | Ki | = | 449.0 | nM | 6.35 | Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cer... | 2876101 |
| Adrenergic receptor alpha-2 | Ki | = | 487.0 | nM | 6.31 | Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cer... | 2876101 |
| Adrenergic receptor alpha-1 | Ki | = | 13329.0 | nM | 4.88 | Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cer... | 2876101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2876101 | 10.1021/jm00160a033 | Adenosine A2 receptor | 3 |
| 2876101 | 10.1021/jm00160a033 | Adenosine receptor A1 | 3 |
| 2876101 | 10.1021/jm00160a033 | Adrenergic receptor alpha-2 | 3 |
| 2876101 | 10.1021/jm00160a033 | Adrenergic receptor alpha-1 | 3 |
| 2876101 | 10.1021/jm00160a033 | Rattus norvegicus | 3 |
Data from ChEMBL 36 via Core Engine