Compound Detail
CHEMBL41111
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Basic Information
| ChEMBL ID | CHEMBL41111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDJXLVODTOEWLJ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
1.02
ALogP
3
HBA
2
HBD
36.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.16
Ki 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 8.16 | 8.16 | 6.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 2.11 | nM | 8.68 | Binding affinity against alpha-2 adrenergic receptor was determined by the displ... | 2887657 |
| Adrenergic receptor alpha-2 | Kd | = | 6.918 | nM | 8.16 | Alpha-2 adrenergic receptor antagonistic activity in rat vas deferens vs clonidi... | 2887657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2887657 | 10.1021/jm00392a005 | Adrenergic receptor alpha-2 | 2 |
| 2887657 | 10.1021/jm00392a005 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine