Compound Detail
CHEMBL2037033
BRUCEANIC ACID F Enter ChEMBL ID:
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CC(=O)[C@@H]1C[C@H]2OC(=O)[C@H](OC(=O)C=C(C)C)[C@H]3[C@]4(C(=O)O)OC[C@]23[C@H]([C@@H](O)[C@@H]4O)[C@@]1(C)CC(=O)O
Basic Information
| ChEMBL ID | CHEMBL2037033 |
| Name | BRUCEANIC ACID F |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKSISKVLJIPPTA-CYRRPUQWSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
510.5
MW (Da)
-0.31
ALogP
10
HBA
4
HBD
194.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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