Compound Detail
CHEMBL566834
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Basic Information
| ChEMBL ID | CHEMBL566834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWTBASUJPOEBBZ-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
501.4
MW (Da)
3.92
ALogP
8
HBA
3
HBD
109.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
| Platelet-derived growth factor receptor CHEMBL2095189 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.53 | 6.53 | 297.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 | IC50 | = | 4.9 | nM | 8.31 | Inhibition of human recombinant Abl | 19889540 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 66.0 | nM | 7.18 | Inhibition of human recombinant Src | 19889540 |
| Platelet-derived growth factor receptor | IC50 | = | 87.0 | nM | 7.06 | Inhibition of human recombinant PDGFR | 19889540 |
| Unchecked | IC50 | = | 297.0 | nM | 6.53 | Inhibition of human recombinant VEGFR | 19889540 |
| Mitogen-activated protein kinase 14 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of human recombinant P38alpha | 19889540 |
| Jurkat | IC50 | = | 4200.0 | nM | 5.38 | Cytotoxicity against Philadelphia chromosome negative human Jurkat cells by Alam... | 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