Compound Detail
CHEMBL3290189
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Basic Information
| ChEMBL ID | CHEMBL3290189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STCSLEWFMHPGFM-QFFDILLMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
413.6
MW (Da)
4.53
ALogP
4
HBA
1
HBD
35.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.02 | 5.02 | 9520.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.57 | 4.57 | 26940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 9520.0 | nM | 5.02 | Inhibition of AChE (unknown origin) after 5 mins by Ellman's method | 24980117 |
| Radical scavenging activity | IC50 | = | 26940.0 | nM | 4.57 | Antioxidant activity assessed as DPPH free radical scavenging activity | 24980117 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24980117 | 10.1016/j.ejmech.2014.06.034 | Radical scavenging activity | 1 |
| 24980117 | 10.1016/j.ejmech.2014.06.034 | ADMET | 1 |
| 24980117 | 10.1016/j.ejmech.2014.06.034 | NON-PROTEIN TARGET | 1 |
| 24980117 | 10.1016/j.ejmech.2014.06.034 | Acetylcholinesterase | 1 |
| 24980117 | 10.1016/j.ejmech.2014.06.034 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine