Compound Detail
CHEMBL1807477
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O=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)n[nH]1)c1ccc(N2CCOCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL1807477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLFGEFWUMJCZNH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
3.97
ALogP
6
HBA
3
HBD
116.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 29.0 | nM | 7.54 | Inhibition of GST-tagged FLT3 expressing wild type kinase domain expressed in Sf... | 21708468 |
| Aurora kinase A | IC50 | = | 390.0 | nM | 6.41 | Inhibition of recombinant GST-tagged Aurora A expressed in Sf9 insect cells afte... | 21708468 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 450.0 | nM | 6.35 | Inhibition of recombinant GST-tagged VEGFR2 expressed in Sf9 insect cells after ... | 21708468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21708468 | 10.1016/j.bmc.2011.06.016 | Vascular endothelial growth factor receptor 2 | 1 |
| 21708468 | 10.1016/j.bmc.2011.06.016 | Aurora kinase A | 1 |
| 21708468 | 10.1016/j.bmc.2011.06.016 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 21708468 | 10.1016/j.bmc.2011.06.016 | MOLM-13 | 1 |
| 21708468 | 10.1016/j.bmc.2011.06.016 | Vascular endothelial growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine