Compound Detail
CHEMBL3593286
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1nc(Nc2ncc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)s2)cc(N2CCNCC2)n1
Basic Information
| ChEMBL ID | CHEMBL3593286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSDXFFVYCHJSHO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
521.0
MW (Da)
5.36
ALogP
8
HBA
4
HBD
107.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of wild type GST-tagged FLT3 kinase domain (Y567 to S993) (unknown or... | 26081023 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unkno... | 26081023 |
| Aurora kinase A | IC50 | = | 270.0 | nM | 6.57 | Inhibition of recombinant GST-tagged Aurora-A kinase domain (S123 to S401) (unkn... | 26081023 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26081023 | 10.1016/j.ejmech.2015.05.008 | Receptor-type tyrosine-protein kinase FLT3 | 2 |
| 26081023 | 10.1016/j.ejmech.2015.05.008 | Aurora kinase A | 1 |
| 26081023 | 10.1016/j.ejmech.2015.05.008 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine