Compound Detail
CHEMBL4877408
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COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(COC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@@H]65)nn3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL4877408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJOFVYPFWXSRHE-FVFFWSEASA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
721.8
MW (Da)
3.33
ALogP
14
HBA
2
HBD
170.6
PSA (Ų)
0.16
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32992133 | 10.1016/j.ejmech.2020.112830 | A549 | 1 |
| 32992133 | 10.1016/j.ejmech.2020.112830 | MCF7 | 1 |
| 32992133 | 10.1016/j.ejmech.2020.112830 | SW480 | 1 |
| 32992133 | 10.1016/j.ejmech.2020.112830 | SMMC-7721 | 1 |
| 32992133 | 10.1016/j.ejmech.2020.112830 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine