Compound Detail
CHEMBL219352
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 | CHEMBL219352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUHRVKGYFHPWRI-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.21
ALogP
5
HBA
1
HBD
57.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 14000.0 | nM | 4.85 | Antioxidant activity assessed by DPPH radical scavenging assay | 17253844 |
| No relevant target | IC50 | = | 14000.0 | nM | 4.85 | Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... | 32711292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32711292 | 10.1016/j.ejmech.2020.112530 | PC-12 | 3 |
| 17253844 | 10.1021/np060449r | Radical scavenging activity | 1 |
| 17253844 | 10.1021/np060449r | NON-PROTEIN TARGET | 1 |
| 17253844 | 10.1021/np060449r | ADMET | 1 |
| 32711292 | 10.1016/j.ejmech.2020.112530 | NCI-H23 | 1 |
| 32711292 | 10.1016/j.ejmech.2020.112530 | NCI-H460 | 1 |
| 32711292 | 10.1016/j.ejmech.2020.112530 | ADMET | 1 |
| 32711292 | 10.1016/j.ejmech.2020.112530 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine