Compound Detail
CHEMBL4800500
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Basic Information
| ChEMBL ID | CHEMBL4800500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTVNZZYDHQNFBS-RGEXLXHISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
424.6
MW (Da)
2.73
ALogP
4
HBA
4
HBD
97.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-AMP-activated protein kinase catalytic subunit alpha-2 CHEMBL2116 | IC50 | 7.69 | 7.69 | 20.5 | 1 |
| 5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045 | IC50 | 6.76 | 6.76 | 173.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.07 | 6.07 | 848.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-AMP-activated protein kinase catalytic subunit alpha-2 | IC50 | = | 20.5 | nM | 7.69 | Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as ... | 32334266 |
| 5'-AMP-activated protein kinase catalytic subunit alpha-1 | IC50 | = | 173.0 | nM | 6.76 | Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as ... | 32334266 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 848.0 | nM | 6.07 | Inhibition of tracer 236 binding to recombinant human N-terminal GST-tagged full... | 32334266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32334266 | 10.1016/j.ejmech.2020.112316 | K562 | 4 |
| 32334266 | 10.1016/j.ejmech.2020.112316 | 5'-AMP-activated protein kinase catalytic subunit alpha-1 | 2 |
| 32334266 | 10.1016/j.ejmech.2020.112316 | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | 2 |
| 32334266 | 10.1016/j.ejmech.2020.112316 | Vascular endothelial growth factor receptor 2 | 2 |
| 32334266 | 10.1016/j.ejmech.2020.112316 | Unchecked | 2 |
| 32334266 | 10.1016/j.ejmech.2020.112316 | Macrophage colony-stimulating factor 1 receptor | 2 |
| 32334266 | 10.1016/j.ejmech.2020.112316 | Tyrosine-protein kinase BTK | 1 |
| 32334266 | 10.1016/j.ejmech.2020.112316 | Vascular endothelial growth factor receptor 1 | 1 |
| 32334266 | 10.1016/j.ejmech.2020.112316 | Tyrosine-protein kinase JAK1 | 1 |
| 32334266 | 10.1016/j.ejmech.2020.112316 | Mast/stem cell growth factor receptor Kit | 1 |
Data from ChEMBL 36 via Core Engine