Compound Detail
CHEMBL593770
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
COc1cc2c(N(C)c3ccc(-c4nc5ccccc5s4)c(OC)c3)ncnc2cc1OCCCN1CCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL593770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSXLLHJZQNFGCH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
584.8
MW (Da)
5.71
ALogP
10
HBA
0
HBD
76.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of wild type EGF-R by microplate scintillation counting | 19692247 |
| Aurora kinase A | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of Aurora-A by microplate scintillation counting | 19692247 |
| Aurora kinase B | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of Aurora-B by microplate scintillation counting | 19692247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19692247 | 10.1016/j.bmc.2009.07.047 | Aurora kinase A | 1 |
| 19692247 | 10.1016/j.bmc.2009.07.047 | Aurora kinase B | 1 |
| 19692247 | 10.1016/j.bmc.2009.07.047 | Epidermal growth factor receptor | 1 |
| 19692247 | 10.1016/j.bmc.2009.07.047 | Vascular endothelial growth factor receptor 2 | 1 |
| 19692247 | 10.1016/j.bmc.2009.07.047 | Angiopoietin-1 receptor | 1 |
| 19692247 | 10.1016/j.bmc.2009.07.047 | Platelet-derived growth factor receptor beta | 1 |
| 19692247 | 10.1016/j.bmc.2009.07.047 | Vascular endothelial growth factor receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine