Compound Detail
CHEMBL1668416
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Basic Information
| ChEMBL ID | CHEMBL1668416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEECBHPHEJLGSX-MDUKQBBOSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
366.8
MW (Da)
4.10
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 5.06 | 5.04 | 8800.0 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.09 | 4.09 | 82000.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 8800.0 | nM | 5.06 | Antiproliferative activity against human Jurkat cells after 48 hrs by celltiter ... | 21273066 |
| Jurkat | IC50 | = | 9500.0 | nM | 5.02 | Antiproliferative activity against human Jurkat cells after 24 hrs by celltiter ... | 21273066 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of human recombinant FLT-3 kinase expressed in insect cells after 90 ... | 21273066 |
| Platelet-derived growth factor receptor alpha | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of human recombinant PDGFRalpha in cell free system after 60 mins | 21273066 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 82000.0 | nM | 4.09 | Inhibition of human recombinant VEGFR2 expressed in Sf9 cells after 60 mins | 21273066 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of human recombinant c-kit kinase in cell free system after 30 mins | 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 | 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