Compound Detail
CHEMBL420652
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 | CHEMBL420652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLHMVDANOJMUOG-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
4.03
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.18
IC50 1 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.18 | 6.18 | 655.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.84 | 5.84 | 1449.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2095158 | IC50 | 4.01 | 4.01 | 97700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 655.0 | nM | 6.18 | Alpha-1 adrenergic receptor binding affinity in rat brain membranes | 8709134 |
| Adrenergic receptor alpha-2 | Ki | = | 1449.0 | nM | 5.84 | Alpha-2 adrenergic receptor binding affinity was tested against membrane prepara... | 8709134 |
| Adrenergic receptor alpha-2 | IC50 | = | 97700.0 | nM | 4.01 | Alpha-2 adrenergic receptor antagonistic activity in human blood platelets. | 8709134 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709134 | 10.1021/jm9506074 | Adrenergic receptor alpha-1 | 2 |
| 8709134 | 10.1021/jm9506074 | Adrenergic receptor alpha-2 | 2 |
| 8709134 | 10.1021/jm9506074 | Unchecked | 1 |
| 8709134 | 10.1021/jm9506074 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine