Compound Detail
CHEMBL51479
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Basic Information
| ChEMBL ID | CHEMBL51479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDIUQEYOECRTHA-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
191.2
MW (Da)
0.81
ALogP
4
HBA
3
HBD
56.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.21
Ki 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL4744 | Ki | 8.15 | 7.285 | 7.1 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | EC50 | 7.21 | 7.21 | 61.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | EC50 | 7.13 | 7.13 | 74.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 7.1 | nM | 8.15 | Binding affinity against alpha-2 adrenergic receptor from calf cerebral cortex, ... | 6139481 |
| Adrenergic receptor alpha-1 | EC50 | = | 61.0 | nM | 7.21 | Agonist activity against alpha-1 adrenergic receptor from rat vas deferens | 6139481 |
| Adrenergic receptor alpha-2 | EC50 | = | 74.0 | nM | 7.13 | Agonistic activity against alpha alpha-2 adrenergic receptor in isolated, field ... | 6139481 |
| Alpha-2A adrenergic receptor | Ki | = | 380.0 | nM | 6.42 | Binding affinity against alpha-2 adrenergic receptor from calf cerebral cortex, ... | 6139481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6139481 | 10.1021/jm00366a022 | Alpha-2A adrenergic receptor | 2 |
| 6139481 | 10.1021/jm00366a022 | Adrenergic receptor alpha-2 | 1 |
| 6139481 | 10.1021/jm00366a022 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine