Compound Detail
CHEMBL3936111
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 | CHEMBL3936111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRYYLQKIPMTRNQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.8
MW (Da)
3.95
ALogP
3
HBA
3
HBD
86.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AMP-activated protein kinase, AMPK CHEMBL2096907 | EC50 | 8.08 | 8.08 | 8.3 | 1 |
| AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 CHEMBL2111345 | EC50 | 8.08 | 8.08 | 8.3 | 1 |
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 | = | 8.3 | nM | 8.08 | Activation of full length human phosphorylated His-tagged AMPK alpha1/beta1/gamm... | 27727125 |
| AMP-activated protein kinase, AMPK | EC50 | = | 8.3 | nM | 8.08 | 33P-Based Assay: The biochemical EC50 (half-maximal concentration required for f... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27727125 | 10.1016/j.bmcl.2016.09.065 | AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | 2 |
Data from ChEMBL 36 via Core Engine