Compound Detail
CHEMBL544001
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 | CHEMBL544001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJPYMIOQGFLTEG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL441948 |
| Active Moiety | CHEMBL441948 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
210.3
MW (Da)
2.38
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.67
Ki 1 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 7.67 | 7.67 | 21.4 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.32 | 7.32 | 48.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Kd | = | 21.38 | nM | 7.67 | In vitro antagonistic activity against alpha-2 adrenergic receptor in isolated e... | 3039138 |
| Adrenergic receptor alpha-2 | Ki | = | 48.0 | nM | 7.32 | Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain ... | 3039138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3039138 | 10.1021/jm00391a034 | Adrenergic receptor alpha-2 | 2 |
Data from ChEMBL 36 via Core Engine