Compound Detail
CHEMBL559923
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C=C1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]4(C)[C@@H]2C[C@H](O)[C@@H]1[C@H]3O
Basic Information
| ChEMBL ID | CHEMBL559923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJUPVBIXFGJPEJ-HUIAWTKHSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
0.58
ALogP
7
HBA
4
HBD
124.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19425589 | 10.1021/np9000366 | NB-4 | 1 |
| 19425589 | 10.1021/np9000366 | A549 | 1 |
| 19425589 | 10.1021/np9000366 | SH-SY5Y | 1 |
| 19425589 | 10.1021/np9000366 | PC-3 | 1 |
| 19425589 | 10.1021/np9000366 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine