Compound Detail
CHEMBL1807474
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CC(C)S(=O)(=O)Nc1cccc(-c2cc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)[nH]n2)c1
Basic Information
| ChEMBL ID | CHEMBL1807474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJESZWYCAZTPRJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
3.23
ALogP
6
HBA
3
HBD
110.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of GST-tagged FLT3 expressing wild type kinase domain expressed in Sf... | 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