Compound Detail
CHEMBL551196
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 | CHEMBL551196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRHMQKSNPQNHRN-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
2.25
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 5.87 | 5.87 | 1350.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.57 | 4.24 | 27040.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 1350.0 | nM | 5.87 | Antioxidant activity assessed as DPPH radical scavenging activity incubated at 4... | 19481947 |
| NON-PROTEIN TARGET | IC50 | = | 27040.0 | nM | 4.57 | Antioxidant activity assessed as inhibition of FeCl2-induced lipid peroxidation ... | 19481947 |
| NON-PROTEIN TARGET | IC50 | = | 80720.0 | nM | 4.09 | Antioxidant activity assessed as superoxide anion radical scavenging activity by... | 19481947 |
| NON-PROTEIN TARGET | IC50 | = | 87240.0 | nM | 4.06 | Antioxidant activity assessed as ABTS radical scavenging activity | 19481947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19481947 | 10.1016/j.bmc.2009.05.019 | NON-PROTEIN TARGET | 5 |
| 19481947 | 10.1016/j.bmc.2009.05.019 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine