Compound Detail
CHEMBL502689
DEMETHYLSUBEROSIN Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL502689 |
| Name | DEMETHYLSUBEROSIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIDUIAPDSKSUGO-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
3.01
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.7
IC50 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.7 | 5.885 | 200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 200.0 | nM | 6.7 | Neuroprotective activity in human SH-SY5Y cells assessed as reduction in 1-methy... | 27420919 |
| NON-PROTEIN TARGET | EC50 | = | 8600.0 | nM | 5.07 | Neuroprotective activity in human SH-SY5Y cells assessed as reduction in oxygen ... | 27420919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27420919 | 10.1021/acs.jnatprod.6b00204 | NON-PROTEIN TARGET | 2 |
| 11374978 | 10.1021/np000441w | Acetylcholinesterase | 1 |
| 21985060 | 10.1021/np2004825 | Plasmodium falciparum | 1 |
| 21985060 | 10.1021/np2004825 | Leishmania donovani | 1 |
| 21985060 | 10.1021/np2004825 | Trypanosoma brucei brucei | 1 |
| 21985060 | 10.1021/np2004825 | Vero | 1 |
| 22222157 | 10.1016/j.bmc.2011.12.002 | Beta-secretase 1 | 1 |
Data from ChEMBL 36 via Core Engine