Compound Detail
CHEMBL216090
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Basic Information
| ChEMBL ID | CHEMBL216090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEMRUANQYFMYPI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
2.90
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.39 | 4.39 | 40300.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.39 | 4.39 | 40300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 40300.0 | nM | 4.39 | Antioxidant activity assessed by DPPH radical scavenging assay | 17253844 |
| No relevant target | IC50 | = | 40300.0 | nM | 4.39 | Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... | 32711292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17253844 | 10.1021/np060449r | Radical scavenging activity | 1 |
| 32711292 | 10.1016/j.ejmech.2020.112530 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine