Compound Detail
CHEMBL542760
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Basic Information
| ChEMBL ID | CHEMBL542760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYSIDRYSHJKWAW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL151352 |
| Active Moiety | CHEMBL151352 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
188.2
MW (Da)
0.99
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2 adrenergic receptor CHEMBL2111338 | Kd | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2 adrenergic receptor | Kd | = | 4.467 | nM | 8.35 | Alpha-2 adrenergic receptor agonist activity in mouse vas deferens relative to c... | 6143826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6143826 | 10.1021/jm00371a003 | Alpha-2 adrenergic receptor | 3 |
| 6143826 | 10.1021/jm00371a003 | Adrenergic receptor alpha-1 | 3 |
| 6143826 | 10.1021/jm00371a003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine