Compound Detail
CHEMBL4076871
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COc1ccc(/C=C/C(=O)/C=C/c2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL4076871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHUXBARRGJGIDQ-FVXNJELISA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
7.01
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28038323 | 10.1016/j.ejmech.2016.12.043 | A549 | 1 |
| 28038323 | 10.1016/j.ejmech.2016.12.043 | MDA-MB-231 | 1 |
| 28038323 | 10.1016/j.ejmech.2016.12.043 | BT-549 | 1 |
| 28038323 | 10.1016/j.ejmech.2016.12.043 | 4T1 | 1 |
| 28038323 | 10.1016/j.ejmech.2016.12.043 | PC-3 | 1 |
| 28038323 | 10.1016/j.ejmech.2016.12.043 | DU-145 | 1 |
| 28038323 | 10.1016/j.ejmech.2016.12.043 | HGC-27 | 1 |
| 28038323 | 10.1016/j.ejmech.2016.12.043 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine