Compound Detail
CHEMBL213497
LOTOIDOSIDE E Enter ChEMBL ID:
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CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL213497 |
| Name | LOTOIDOSIDE E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZTOJMXJDIYVJE-ZPBDQCMMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
822.0
MW (Da)
3.03
ALogP
12
HBA
8
HBD
224.7
PSA (Ų)
0.13
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| WEHI-164 CHEMBL614227 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 18.0 | nM | 7.75 | Cytotoxicity against mouse J774A1 cells assessed as cell viability after 72 hrs ... | 26922223 |
| WEHI-164 | IC50 | = | 30.0 | nM | 7.52 | Antitumor activity against WEHI 164 cell | 16765595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16765595 | 10.1016/j.bmcl.2006.05.086 | HeLa | 5 |
| 16765595 | 10.1016/j.bmcl.2006.05.086 | WEHI-164 | 1 |
| 26922223 | 10.1016/j.ejmech.2015.12.034 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine