Compound Detail
CHEMBL3098343
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Basic Information
| ChEMBL ID | CHEMBL3098343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUPUQXNVHRUSEI-OQLLNIDSSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
215.2
MW (Da)
3.28
ALogP
2
HBA
1
HBD
32.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.81
IC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.81 | 4.81 | 15400.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.38 | 4.38 | 41300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 15400.0 | nM | 4.81 | Reversal of Zn-induced human soluble amyloid beta (1 to 42) aggregation after 30... | 26396692 |
| Radical scavenging activity | IC50 | = | 41300.0 | nM | 4.38 | Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... | 24269515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26396692 | 10.1021/acsmedchemlett.5b00281 | SH-SY5Y | 2 |
| 24269515 | 10.1016/j.ejmech.2013.10.068 | Amyloid-beta precursor protein | 1 |
| 24269515 | 10.1016/j.ejmech.2013.10.068 | Radical scavenging activity | 1 |
| 26396692 | 10.1021/acsmedchemlett.5b00281 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine