Compound Detail
CHEMBL256966
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Basic Information
| ChEMBL ID | CHEMBL256966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSLIBNPPWWCGPY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
2.70
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Liver CHEMBL613580 | IC50 | 4.77 | 4.77 | 17080.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.44 | 4.44 | 36350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Liver | IC50 | = | 17080.0 | nM | 4.77 | Antioxidant activity in BALB/c mouse liver microsomes assessed as inhibition of ... | 18177011 |
| NON-PROTEIN TARGET | IC50 | = | 36350.0 | nM | 4.44 | Antioxidant activity assessed as superoxide radical anion scavenging activity | 18177011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18177011 | 10.1021/np070114p | Hepatocyte | 2 |
| 18177011 | 10.1021/np070114p | Liver | 2 |
| 18177011 | 10.1021/np070114p | KB | 1 |
| 18177011 | 10.1021/np070114p | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine