Compound Detail
CHEMBL3893781
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Basic Information
| ChEMBL ID | CHEMBL3893781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZIZUCHLAKADOE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.8
MW (Da)
5.56
ALogP
2
HBA
3
HBD
73.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.89
Kd 1 meas. best 7.64
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 | 8.89 | 8.89 | 1.3 | 1 |
| AMP-activated protein kinase, AMPK CHEMBL2096907 | EC50 | 8.62 | 8.62 | 2.4 | 1 |
| AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 CHEMBL2111345 | Kd | 7.64 | 7.64 | 22.7 | 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 | = | 1.3 | nM | 8.89 | Activation of recombinant human AMPK alpha1/beta1/gamma1 using Cy5-labelled SAMS... | 27490827 |
| AMP-activated protein kinase, AMPK | EC50 | = | 2.4 | nM | 8.62 | 33P-Based Assay: The biochemical EC50 (half-maximal concentration required for f... | - |
| AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | Kd | = | 22.7 | nM | 7.64 | Binding affinity to recombinant human AMPK alpha1/beta1/gamma1 by SPR binding as... | 27490827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27490827 | 10.1021/acs.jmedchem.6b00866 | NON-PROTEIN TARGET | 3 |
| 27490827 | 10.1021/acs.jmedchem.6b00866 | AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | 3 |
| 27490827 | 10.1021/acs.jmedchem.6b00866 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine