Compound Detail
CHEMBL3393133
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Basic Information
| ChEMBL ID | CHEMBL3393133 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEBVCCGQJKEUJM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
410.9
MW (Da)
5.43
ALogP
4
HBA
3
HBD
86.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 CHEMBL2111345 | EC50 | 7.89 | 7.295 | 13.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | EC50 | = | 13.0 | nM | 7.89 | Activation of human AMPK alpha1beta1gamma1 | 25122135 |
| AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | EC50 | = | 200.0 | nM | 6.7 | In Vitro pAMPK1 Kinase Activation Assay: Compound effect on AMPK enzyme activati... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25122135 | 10.1021/jm401994c | AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | 2 |
Data from ChEMBL 36 via Core Engine