Compound Detail
CHEMBL538921
SAPONARIN Enter ChEMBL ID:
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O=c1cc(-c2ccc(O)cc2)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
Basic Information
| ChEMBL ID | CHEMBL538921 |
| Name | SAPONARIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSNXTSWTBUEIJB-PXJYGDGDSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
626.5
MW (Da)
-3.07
ALogP
17
HBA
11
HBD
289.7
PSA (Ų)
0.12
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26471090 | 10.1016/j.bmcl.2015.09.057 | AMP-activated protein kinase, AMPK | 22 |
| 9461655 | 10.1021/np970237h | Xanthine dehydrogenase/oxidase | 1 |
| 9461655 | 10.1021/np970237h | NON-PROTEIN TARGET | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 26471090 | 10.1016/j.bmcl.2015.09.057 | TE-671 | 1 |
| 26471090 | 10.1016/j.bmcl.2015.09.057 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine