Compound Detail
CHEMBL568738
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Basic Information
| ChEMBL ID | CHEMBL568738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KECHYAFVYLLNCH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
181.3
MW (Da)
2.89
ALogP
3
HBA
1
HBD
12.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.12 | 4.12 | 76660.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.04 | 4.04 | 91000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 76660.0 | nM | 4.12 | Antioxidant activity assessed as ABTS free radical scavenging activity by radica... | 19502068 |
| Radical scavenging activity | IC50 | = | 91000.0 | nM | 4.04 | Antioxidant activity assessed as DPPH free radical scavenging activity by UV spe... | 19502068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19502068 | 10.1016/j.bmc.2009.05.039 | Mus musculus | 5 |
| 19502068 | 10.1016/j.bmc.2009.05.039 | Radical scavenging activity | 1 |
| 19502068 | 10.1016/j.bmc.2009.05.039 | NON-PROTEIN TARGET | 1 |
| 33894528 | 10.1016/j.ejmech.2021.113455 | Proteasome subunit beta type-8 | 1 |
| 33894528 | 10.1016/j.ejmech.2021.113455 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine