Compound Detail
CHEMBL566636
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL566636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SATMQUWVFQUXMV-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
412.3
MW (Da)
4.63
ALogP
6
HBA
2
HBD
85.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Platelet-derived growth factor receptor CHEMBL2095189 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.78 | 6.78 | 165.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.31 | 6.31 | 491.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 | IC50 | = | 2.3 | nM | 8.64 | Inhibition of human recombinant Abl | 19889540 |
| Platelet-derived growth factor receptor | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human recombinant PDGFR | 19889540 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 36.0 | nM | 7.44 | Inhibition of human recombinant Src | 19889540 |
| Unchecked | IC50 | = | 51.0 | nM | 7.29 | Inhibition of human recombinant VEGFR | 19889540 |
| Mitogen-activated protein kinase 14 | IC50 | = | 51.0 | nM | 7.29 | Inhibition of human recombinant P38alpha | 19889540 |
| NON-PROTEIN TARGET | IC50 | = | 165.0 | nM | 6.78 | Cytotoxicity against Philadelphia chromosome positive human ALL3 cells by Alamar... | 19889540 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 491.0 | nM | 6.31 | Inhibition of human recombinant C-Kit | 19889540 |
| Jurkat | IC50 | = | 6500.0 | nM | 5.19 | 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 | 6 |
| 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