Compound Detail
CHEMBL1958310
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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)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O)[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL1958310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYMXIXLTXQGVPD-GZZDFWAQSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
464.7
MW (Da)
4.52
ALogP
5
HBA
3
HBD
79.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
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