Compound Detail
CHEMBL5839303
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CCOC(=O)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
Basic Information
| ChEMBL ID | CHEMBL5839303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYYYPCWFBGWXJH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
535.5
MW (Da)
2.50
ALogP
9
HBA
1
HBD
124.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 20.0 | nM | 7.7 | Kinase Assay: For the assay, 11 different concentrations in the range from 20 μM... | - |
Data from ChEMBL 36 via Core Engine