Compound Detail
CHEMBL103055
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CCN1CCOCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCC1
Basic Information
| ChEMBL ID | CHEMBL103055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFDFKLDQKSPRHB-UHFFFAOYSA-N |
13
Targets
17
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
3.53
ALogP
7
HBA
1
HBD
77.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 16 meas. best 8.05
EC50 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3045 | IC50 | 8.05 | 7.8333 | 9.0 | 3 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.75 | 7.7 | 18.0 | 3 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Protein kinase C gamma type CHEMBL2938 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.51 | 6.51 | 310.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| CaM kinase II CHEMBL2097164 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.85 | 5.85 | 1410.0 | 1 |
| Platelet-derived growth factor receptor CHEMBL2095189 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 4.84 | 4.84 | 14500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine