Compound Detail
CHEMBL4537753
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Basic Information
| ChEMBL ID | CHEMBL4537753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPLDATDRGRLRNA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4594875 |
| Active Moiety | CHEMBL4594875 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
5.20
ALogP
4
HBA
0
HBD
42.6
PSA (Ų)
0.63
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.36
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 | 6.36 | 6.355 | 440.0 | 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 | = | 440.0 | nM | 6.36 | Activation of C-terminal His tagged human recombinant full length AMPK alpha1/be... | 31358465 |
| AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | EC50 | = | 446.68 | nM | 6.35 | Activation of C-terminal His tagged human recombinant full length AMPK alpha1/be... | 31358465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31358465 | 10.1016/j.bmcl.2019.07.035 | AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | 4 |
| 31358465 | 10.1016/j.bmcl.2019.07.035 | No relevant target | 2 |
| 31358465 | 10.1016/j.bmcl.2019.07.035 | Peritoneal macrophage | 2 |
| 31358465 | 10.1016/j.bmcl.2019.07.035 | Unchecked | 1 |
| 31358465 | 10.1016/j.bmcl.2019.07.035 | Platelet | 1 |
| 31358465 | 10.1016/j.bmcl.2019.07.035 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine