Compound Detail
CHEMBL4854403
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COc1ccc(Cn2cnc3c(Nc4ccc(C(=O)N5CCOCC5)cc4)nc(-c4cccc(NC(=O)c5ccc(C(C)(C)C)cc5)c4C)cc32)cc1
Basic Information
| ChEMBL ID | CHEMBL4854403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NULBNJZTCGRLNI-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
708.9
MW (Da)
8.23
ALogP
8
HBA
2
HBD
110.6
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33340912 | 10.1016/j.ejmech.2020.113094 | Tyrosine-protein kinase BTK | 2 |
| 33340912 | 10.1016/j.ejmech.2020.113094 | Unchecked | 2 |
| 33340912 | 10.1016/j.ejmech.2020.113094 | Cyclin-dependent kinase 2 | 1 |
| 33340912 | 10.1016/j.ejmech.2020.113094 | Tyrosine-protein kinase SYK | 1 |
| 33340912 | 10.1016/j.ejmech.2020.113094 | Tyrosine-protein kinase Fyn | 1 |
| 33340912 | 10.1016/j.ejmech.2020.113094 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 33340912 | 10.1016/j.ejmech.2020.113094 | Tyrosine-protein kinase ABL1 | 1 |
| 33340912 | 10.1016/j.ejmech.2020.113094 | Ramos | 1 |
| 33340912 | 10.1016/j.ejmech.2020.113094 | K562 | 1 |
| 33340912 | 10.1016/j.ejmech.2020.113094 | Rec1 | 1 |
Data from ChEMBL 36 via Core Engine