Compound Detail
CHEMBL4218091
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C=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3C(=O)[C@@H](O)[C@]2(C)[C@H]2C(=O)O[C@@H](C)C(=O)[C@]12C
Basic Information
| ChEMBL ID | CHEMBL4218091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJCUHOMXXINHDN-HSPKRFAFSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
2.66
ALogP
6
HBA
1
HBD
97.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30207465 | 10.1021/acs.jnatprod.7b01050 | Beta-secretase 1 | 1 |
Data from ChEMBL 36 via Core Engine