Compound Detail
CHEMBL1807785
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Cc1nc(Nc2cc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)n[nH]2)cc(N2CCC(O)CC2)n1
Basic Information
| ChEMBL ID | CHEMBL1807785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFRUZRAQPBNGME-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
3.68
ALogP
8
HBA
4
HBD
136.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of GST-tagged FLT3 expressing wild type kinase domain expressed in Sf... | 21708468 |
| Aurora kinase A | IC50 | = | 540.0 | nM | 6.27 | Inhibition of recombinant GST-tagged Aurora A expressed in Sf9 insect cells afte... | 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 | Unchecked | 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