Compound Detail
CHEMBL305434
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL305434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYMYZHUBNCWZNN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
3.31
ALogP
7
HBA
0
HBD
43.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.31 | 7.31 | 48.8 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.08 | 5.08 | 8356.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 48.8 | nM | 7.31 | Binding affinity against alpha-1 adrenergic receptor by measuring displacement o... | 8101878 |
| Adrenergic receptor alpha-2 | Ki | = | 8356.0 | nM | 5.08 | Binding affinity against alpha-2 adrenergic receptor by measuring displacement o... | 8101878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8101878 | 10.1021/jm00067a017 | Rattus norvegicus | 2 |
| 8101878 | 10.1021/jm00067a017 | Adrenergic receptor alpha-1 | 1 |
| 8101878 | 10.1021/jm00067a017 | Adrenergic receptor alpha-2 | 1 |
| 8101878 | 10.1021/jm00067a017 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine