Compound Detail
CHEMBL3775927
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COc1cccc(/C=C/C(=O)N[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)c1OC
Basic Information
| ChEMBL ID | CHEMBL3775927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKYSVCUTEZQIKM-GLRGZNGFSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
940.2
MW (Da)
5.38
ALogP
13
HBA
7
HBD
222.9
PSA (Ų)
0.08
QED
4
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26922223 | 10.1016/j.ejmech.2015.12.034 | NON-PROTEIN TARGET | 2 |
| 26922223 | 10.1016/j.ejmech.2015.12.034 | HepG2 | 1 |
| 26922223 | 10.1016/j.ejmech.2015.12.034 | MCF7 | 1 |
| 26922223 | 10.1016/j.ejmech.2015.12.034 | HeLa | 1 |
| 26922223 | 10.1016/j.ejmech.2015.12.034 | A549 | 1 |
Data from ChEMBL 36 via Core Engine