Compound Detail
CHEMBL565372
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Basic Information
| ChEMBL ID | CHEMBL565372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQXJLEVGNHLDCC-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
425.3
MW (Da)
5.61
ALogP
5
HBA
1
HBD
59.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| MEG-01 CHEMBL2366084 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| K562 CHEMBL385 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.63 | 6.63 | 234.0 | 1 |
| Platelet-derived growth factor receptor CHEMBL2095189 | IC50 | 6.61 | 6.61 | 244.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.45 | 6.45 | 354.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.12 | 6.12 | 752.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of human recombinant Abl | 19889540 |
| MEG-01 | IC50 | = | 25.0 | nM | 7.6 | Cytotoxicity against Philadelphia chromosome positive human MEG01 cells by Alama... | 19889540 |
| K562 | IC50 | = | 60.0 | nM | 7.22 | Cytotoxicity against Philadelphia chromosome positive human K562 cells by Alamar... | 19889540 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 234.0 | nM | 6.63 | Inhibition of human recombinant Src | 19889540 |
| Platelet-derived growth factor receptor | IC50 | = | 244.0 | nM | 6.61 | Inhibition of human recombinant PDGFR | 19889540 |
| Unchecked | IC50 | = | 354.0 | nM | 6.45 | Inhibition of human recombinant VEGFR | 19889540 |
| NON-PROTEIN TARGET | IC50 | = | 650.0 | nM | 6.19 | Cytotoxicity against Philadelphia chromosome positive human ALL3 cells by Alamar... | 19889540 |
| Mitogen-activated protein kinase 14 | IC50 | = | 752.0 | nM | 6.12 | Inhibition of human recombinant P38alpha | 19889540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19889540 | 10.1016/j.bmcl.2009.10.085 | Unchecked | 5 |
| 19889540 | 10.1016/j.bmcl.2009.10.085 | NON-PROTEIN TARGET | 4 |
| 19889540 | 10.1016/j.bmcl.2009.10.085 | MEG-01 | 1 |
| 19889540 | 10.1016/j.bmcl.2009.10.085 | K562 | 1 |
| 19889540 | 10.1016/j.bmcl.2009.10.085 | Mast/stem cell growth factor receptor Kit | 1 |
| 19889540 | 10.1016/j.bmcl.2009.10.085 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 19889540 | 10.1016/j.bmcl.2009.10.085 | Platelet-derived growth factor receptor | 1 |
| 19889540 | 10.1016/j.bmcl.2009.10.085 | Mitogen-activated protein kinase 14 | 1 |
| 19889540 | 10.1016/j.bmcl.2009.10.085 | Tyrosine-protein kinase ABL1 | 1 |
| 19889540 | 10.1016/j.bmcl.2009.10.085 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine