Compound Detail
CHEMBL1668414
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Basic Information
| ChEMBL ID | CHEMBL1668414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWTUABVVXBPDCL-UUSSSYRCSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
411.3
MW (Da)
4.26
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.01 | 4.97 | 9700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha | IC50 | = | 87.0 | nM | 7.06 | Inhibition of human recombinant PDGFRalpha in cell free system after 60 mins | 21273066 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human recombinant FLT-3 kinase expressed in insect cells after 90 ... | 21273066 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of human recombinant c-kit kinase in cell free system after 30 mins | 21273066 |
| Vascular endothelial growth factor receptor 3 | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of human recombinant VEGFR3 in cell free system after 90 mins | 21273066 |
| Jurkat | IC50 | = | 9700.0 | nM | 5.01 | Antiproliferative activity against human Jurkat cells after 48 hrs by celltiter ... | 21273066 |
| Jurkat | IC50 | = | 11700.0 | nM | 4.93 | Antiproliferative activity against human Jurkat cells after 24 hrs by celltiter ... | 21273066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21273066 | 10.1016/j.bmcl.2010.12.100 | Jurkat | 2 |
| 21273066 | 10.1016/j.bmcl.2010.12.100 | Platelet-derived growth factor receptor beta | 1 |
| 21273066 | 10.1016/j.bmcl.2010.12.100 | Mast/stem cell growth factor receptor Kit | 1 |
| 21273066 | 10.1016/j.bmcl.2010.12.100 | Platelet-derived growth factor receptor alpha | 1 |
| 21273066 | 10.1016/j.bmcl.2010.12.100 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 21273066 | 10.1016/j.bmcl.2010.12.100 | Vascular endothelial growth factor receptor 3 | 1 |
| 21273066 | 10.1016/j.bmcl.2010.12.100 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine