Compound Detail
CHEMBL505100
BRUCEANTINOSIDE A Enter ChEMBL ID:
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COC(=O)[C@]12OC[C@@]34[C@H](C[C@H]5[C@H](C)C(=O)C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)OC(=O)[C@H](OC(=O)/C=C(\C)C(C)C)[C@@H]24
Basic Information
| ChEMBL ID | CHEMBL505100 |
| Name | BRUCEANTINOSIDE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASHBUMOFZXVPPC-IBUAVMITSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
710.7
MW (Da)
-1.73
ALogP
16
HBA
6
HBD
245.0
PSA (Ų)
0.10
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7288443 | 10.1021/np50016a013 | P388 | 5 |
| 22506620 | 10.1021/np200920c | HCT-8 | 1 |
| 22506620 | 10.1021/np200920c | HepG2 | 1 |
| 22506620 | 10.1021/np200920c | BGC-823 | 1 |
| 22506620 | 10.1021/np200920c | A549 | 1 |
| 22506620 | 10.1021/np200920c | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine