Compound Detail
CHEMBL3907011
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 | CHEMBL3907011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMBAVVWDJBOQIG-LFIBNONCSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
6.18
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.66
IC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.66 | 5.875 | 220.0 | 2 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.88 | 4.88 | 13090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 220.0 | nM | 6.66 | Neuroprotective activity against okadaic acid-induced tau phosphorylation-mediat... | 27376495 |
| NON-PROTEIN TARGET | EC50 | = | 8170.0 | nM | 5.09 | Neuroprotective activity against oligomycine/rotenone-induced oxidative stress-m... | 27376495 |
| Acetylcholinesterase | IC50 | = | 13090.0 | nM | 4.88 | Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as su... | 27376495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27376495 | 10.1016/j.ejmech.2016.06.036 | NON-PROTEIN TARGET | 4 |
| 27376495 | 10.1016/j.ejmech.2016.06.036 | SH-SY5Y | 1 |
| 27376495 | 10.1016/j.ejmech.2016.06.036 | Acetylcholinesterase | 1 |
| 27376495 | 10.1016/j.ejmech.2016.06.036 | Cholinesterase | 1 |
| 27376495 | 10.1016/j.ejmech.2016.06.036 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine