Compound Detail
CHEMBL5079142
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Basic Information
| ChEMBL ID | CHEMBL5079142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQGNWOTXMSFARG-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.97
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
| NB-4 CHEMBL614188 | IC50 | 4.45 | 4.45 | 35520.0 | 1 |
| Raji CHEMBL614628 | IC50 | 4.13 | 4.13 | 74050.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 4.07 | 4.07 | 85920.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.01 | 4.01 | 97380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of recombinant human GSK-3beta using GS-2 peptide as substrate incuba... | 34027661 |
| NB-4 | IC50 | = | 35520.0 | nM | 4.45 | Cytotoxicity against human NB-4 cells assessed as reduction in cell viability me... | 34027661 |
| Raji | IC50 | = | 74050.0 | nM | 4.13 | Cytotoxicity against human Raji cells assessed as reduction in cell viability me... | 34027661 |
| MOLT-4 | IC50 | = | 85920.0 | nM | 4.07 | Cytotoxicity against human MOLT-4 cells assessed as reduction in cell viability ... | 34027661 |
| HL-60 | IC50 | = | 97380.0 | nM | 4.01 | Cytotoxicity against human HL-60 cells assessed as reduction in cell viability m... | 34027661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Glycogen synthase kinase-3 beta | 4 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Platelet-derived growth factor receptor beta | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | No relevant target | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Tyrosine-protein kinase ABL1 | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Receptor tyrosine-protein kinase erbB-4 | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Epidermal growth factor receptor | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Ephrin type-A receptor 2 | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Mast/stem cell growth factor receptor Kit | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Platelet-derived growth factor receptor alpha | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Fibroblast growth factor receptor 1 | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Vascular endothelial growth factor receptor 2 | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Vascular endothelial growth factor receptor 1 | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | Raji | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | HL-60 | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | MOLT-4 | 1 |
| 34027661 | 10.1021/acs.jmedchem.0c02254 | NB-4 | 1 |
Data from ChEMBL 36 via Core Engine