Compound Detail
CHEMBL2208205
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COc1cc2c(c(OC)c1OC)[C@@H](OC)O[C@@H]1CC=C3CCN(C)[C@H]3[C@H]21
Basic Information
| ChEMBL ID | CHEMBL2208205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPEKOSCSUJGQQB-PCFVDWANSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
2.87
ALogP
6
HBA
0
HBD
49.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23190013 | 10.1021/np3005425 | HT-29 | 1 |
| 23190013 | 10.1021/np3005425 | HepG2 | 1 |
| 23190013 | 10.1021/np3005425 | A549 | 1 |
| 23190013 | 10.1021/np3005425 | K562 | 1 |
| 23190013 | 10.1021/np3005425 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine