Compound Detail
CHEMBL5598003
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
CNC(=O)c1cc(-c2ccc(NC(=O)Nc3ccc(N4CCN(C)CC4)c(C(F)(F)F)c3)cc2)nc2cccnc12
Basic Information
| ChEMBL ID | CHEMBL5598003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUBOCRXKKDKIIK-UHFFFAOYSA-N |
10
Targets
12
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
563.6
MW (Da)
5.07
ALogP
6
HBA
3
HBD
102.5
PSA (Ų)
0.31
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.67 | 7.1967 | 21.4 | 3 |
| BMDM CHEMBL4296525 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 6.44 | 6.44 | 366.3 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.44 | 6.44 | 362.0 | 1 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 6.01 | 6.01 | 972.4 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.83 | 5.83 | 1480.0 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 5.79 | 5.79 | 1630.0 | 1 |
| HS27 CHEMBL614666 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
| WI-38 CHEMBL614391 | IC50 | 4.72 | 4.72 | 19100.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.02 | 4.02 | 95900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine