Compound Detail
CHEMBL5598552
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CCN1CCN(c2ccc(NC(=O)Nc3ccc(-c4cc(C(=O)NC)c5ncccc5n4)cc3)cc2C(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL5598552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URSBFSYPZGOCKS-UHFFFAOYSA-N |
12
Targets
14
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
577.6
MW (Da)
5.46
ALogP
6
HBA
3
HBD
102.5
PSA (Ų)
0.28
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 14 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.13 | 6.71 | 73.9 | 3 |
| BMDM CHEMBL4296525 | IC50 | 6.78 | 6.78 | 167.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.32 | 6.32 | 483.6 | 1 |
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 6.05 | 6.05 | 889.2 | 1 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 6.03 | 6.03 | 945.1 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 6.02 | 6.02 | 958.0 | 1 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 6.0 | 6.0 | 992.3 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 5.75 | 5.75 | 1790.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.62 | 5.62 | 2370.0 | 1 |
| HS27 CHEMBL614666 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
| WI-38 CHEMBL614391 | IC50 | 4.78 | 4.78 | 16700.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.08 | 4.08 | 83450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine