Compound Detail
CHEMBL1807469
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Cc1cccc(S(=O)(=O)Nc2cccc(-c3cc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)[nH]n3)c2)c1
Basic Information
| ChEMBL ID | CHEMBL1807469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWZRVKDTKFYYDV-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
3
PK Parameters
7
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
4.19
ALogP
6
HBA
3
HBD
110.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1202.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 67.4 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 1.7 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of GST-tagged FLT3 expressing wild type kinase domain expressed in Sf... | 21708468 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of recombinant GST-tagged VEGFR2 expressed in Sf9 insect cells after ... | 21708468 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of recombinant GST-tagged VEGFR1 expressed in Sf9 insect cells after ... | 21708468 |
| Aurora kinase A | IC50 | = | 430.0 | nM | 6.37 | 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 | Rattus norvegicus | 4 |
| 21708468 | 10.1016/j.bmc.2011.06.016 | Mus musculus | 2 |
| 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