Compound Detail
CHEMBL550181
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Basic Information
| ChEMBL ID | CHEMBL550181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMELECLHMVZXAG-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
2.53
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.19 | 4.97 | 6470.0 | 2 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.12 | 4.12 | 75930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 6470.0 | nM | 5.19 | Antioxidant activity assessed as inhibition of FeCl2-induced lipid peroxidation ... | 19481947 |
| NON-PROTEIN TARGET | IC50 | = | 17830.0 | nM | 4.75 | Antioxidant activity assessed as ABTS radical scavenging activity | 19481947 |
| Radical scavenging activity | IC50 | = | 75930.0 | nM | 4.12 | Antioxidant activity assessed as DPPH radical scavenging activity incubated at 4... | 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 | Tyrosinase | 3 |
| 19481947 | 10.1016/j.bmc.2009.05.019 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine