Compound Detail
CHEMBL2037035
JAVANIC ACID A Enter ChEMBL ID:
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COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@](C)(CC(=O)O)[C@H]([C@H](C)C(=O)O)C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24
Basic Information
| ChEMBL ID | CHEMBL2037035 |
| Name | JAVANIC ACID A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZYYYNQHRMDDMP-ZABQCNOLSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
554.5
MW (Da)
-0.09
ALogP
11
HBA
4
HBD
203.2
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
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