Compound Detail
CHEMBL4785189
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C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccoc3)[C@@H](O)[C@H]3O[C@]132
Basic Information
| ChEMBL ID | CHEMBL4785189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRXLNVVIRGZRIW-HNIYLELFSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
3.87
ALogP
4
HBA
2
HBD
66.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32645647 | 10.1016/j.ejmech.2020.112520 | CCRF-CEM | 1 |
| 32645647 | 10.1016/j.ejmech.2020.112520 | MCF7 | 1 |
| 32645647 | 10.1016/j.ejmech.2020.112520 | HeLa | 1 |
| 32645647 | 10.1016/j.ejmech.2020.112520 | BJ | 1 |
| 32645647 | 10.1016/j.ejmech.2020.112520 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine