Compound Detail
CHEMBL2368272
Bruceoside-F Enter ChEMBL ID:
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CC(=O)OC(C)(C)/C(C)=C/C(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3[C@H](C)C(=O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C[C@]3(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C(=O)O)OC[C@]32[C@@H]14
Basic Information
| ChEMBL ID | CHEMBL2368272 |
| Name | Bruceoside-F |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLVUVKGKEFOUCN-RMZKDFQYSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
754.7
MW (Da)
-2.14
ALogP
17
HBA
7
HBD
282.3
PSA (Ų)
0.08
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00096-0 | H9 | 1 |
| - | 10.1016/0960-894X(96)00096-0 | Human immunodeficiency virus 1 | 1 |
| - | 10.1016/0960-894X(96)00096-0 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine