Compound Detail
CHEMBL1958311
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CO[C@]1(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CCC5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O)[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL1958311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYEDJGVGXIOTFT-HVFSNWOUSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
626.8
MW (Da)
2.34
ALogP
10
HBA
6
HBD
158.3
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22429911 | 10.1016/j.ejmech.2012.02.043 | A2780 | 1 |
| 22429911 | 10.1016/j.ejmech.2012.02.043 | Bel-7402 | 1 |
| 22429911 | 10.1016/j.ejmech.2012.02.043 | HCT-8 | 1 |
| 22429911 | 10.1016/j.ejmech.2012.02.043 | KB | 1 |
| 22429911 | 10.1016/j.ejmech.2012.02.043 | BGC-823 | 1 |
| 22429911 | 10.1016/j.ejmech.2012.02.043 | HeLa | 1 |
| 22429911 | 10.1016/j.ejmech.2012.02.043 | A549 | 1 |
Data from ChEMBL 36 via Core Engine