Compound Detail
CHEMBL3104962
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Basic Information
| ChEMBL ID | CHEMBL3104962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQGCECAJFLDXBC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
354.6
MW (Da)
7.65
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.25
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.83 | 4.83 | 14900.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.51 | 4.495 | 31100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 14900.0 | nM | 4.83 | Antioxidant activity assessed as DPPH radical scavenging activity | 24387661 |
| NON-PROTEIN TARGET | IC50 | = | 31100.0 | nM | 4.51 | Antioxidant activity assessed as hydroxyl radical scavenging activity after 15 m... | 24387661 |
| NON-PROTEIN TARGET | IC50 | = | 32800.0 | nM | 4.48 | Antioxidant activity assessed as superoxide radical scavenging activity by NBT r... | 24387661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24387661 | 10.1021/np400360h | NON-PROTEIN TARGET | 5 |
| 24387661 | 10.1021/np400360h | DNA | 3 |
| 24387661 | 10.1021/np400360h | HCT-116 | 1 |
| 24387661 | 10.1021/np400360h | AGS | 1 |
| 24387661 | 10.1021/np400360h | HeLa | 1 |
| 24387661 | 10.1021/np400360h | Albumin | 1 |
| 24387661 | 10.1021/np400360h | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine