Compound Detail
CHEMBL4542477
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 | CHEMBL4542477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VETSDIJERJUOJL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
4.06
ALogP
5
HBA
2
HBD
90.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-AMP-activated protein kinase catalytic subunit alpha-2 CHEMBL2116 | EC50 | 6.1 | 6.1 | 800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-AMP-activated protein kinase catalytic subunit alpha-2 | EC50 | = | 800.0 | nM | 6.1 | Agonist activity at AMPK (unknown origin) | 38295689 |
| 5'-AMP-activated protein kinase catalytic subunit alpha-2 | EC50 | = | 800.0 | nM | 6.1 | Activation of AMPK (unknown origin) | 38432059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 38295689 | 10.1016/j.ejmech.2023.116117 | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | 1 |
| 38432059 | 10.1016/j.ejmech.2024.116273 | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | 1 |
| 38157838 | 10.1016/j.bmc.2023.117561 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine