Compound Detail
CHEMBL3393127
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Basic Information
| ChEMBL ID | CHEMBL3393127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHWSAZXFPUMKFL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
431.9
MW (Da)
6.17
ALogP
4
HBA
2
HBD
80.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AMPK alpha2/beta1/gamma1 CHEMBL3038455 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 CHEMBL2111345 | EC50 | 8.52 | 8.52 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AMPK alpha2/beta1/gamma1 | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at human recombinant phosphorylated AMPK complex 7 alpha2/beta1... | 29035567 |
| AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | EC50 | = | 3.0 | nM | 8.52 | Activation of human AMPK alpha1beta1gamma1 | 25122135 |
| AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | EC50 | = | 3.0 | nM | 8.52 | Activation of full length human recombinant AMPK alpha1/beta1/gamma1 expressed i... | 27727125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25122135 | 10.1021/jm401994c | AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | 2 |
| 27727125 | 10.1016/j.bmcl.2016.09.065 | AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | 2 |
| 29035567 | 10.1021/acs.jmedchem.7b01344 | AMPK alpha2/beta1/gamma1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine