Compound Detail
CHEMBL295764
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Basic Information
| ChEMBL ID | CHEMBL295764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEMFQTAXPFSLAE-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
289.1
MW (Da)
1.10
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.2
Ki 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL4744 | Ki | 7.38 | 7.38 | 42.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 6.2 | 6.2 | 631.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 6.0 | 6.0 | 1000.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 42.0 | nM | 7.38 | Binding activity against alpha-2 adrenergic receptor from calf cerebral cortex, ... | 6139479 |
| Adrenergic receptor alpha-2 | Kd | = | 630.96 | nM | 6.2 | Presynaptic antagonistic activity against alpha-2 adrenergic receptor from rat, ... | 6139479 |
| Adrenergic receptor alpha-1 | Kd | = | 1000.0 | nM | 6.0 | Presynaptic antagonistic activity against alpha-1 adrenergic receptor from rat, ... | 6139479 |
| Alpha-1A adrenergic receptor | Ki | = | 1600.0 | nM | 5.8 | Binding activity against alpha-1 adrenergic receptor from calf cerebral cortex, ... | 6139479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6139479 | 10.1021/jm00366a007 | Adrenergic receptor alpha-2 | 2 |
| 6139479 | 10.1021/jm00366a007 | Alpha-2A adrenergic receptor | 1 |
| 6139479 | 10.1021/jm00366a007 | Alpha-1A adrenergic receptor | 1 |
| 6139479 | 10.1021/jm00366a007 | Adrenergic receptor alpha-1 | 1 |
| 6139479 | 10.1021/jm00366a007 | Cerebral cortex alpha adrenergic receptor | 1 |
| 6139479 | 10.1021/jm00366a007 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine