Compound Detail
CHEMBL219768
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Basic Information
| ChEMBL ID | CHEMBL219768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBFCBNWVKOBJLV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
1.81
ALogP
3
HBA
0
HBD
41.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Liver microsomes CHEMBL613694 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Liver microsomes | IC50 | = | 20000.0 | nM | 4.7 | Antioxidant activity against Fe2SO4/ascorbate-induced lipid peroxidation in Wist... | 19113954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19113954 | 10.1021/jm8007008 | No relevant target | 4 |
| 17850126 | 10.1021/jm070688r | ScN2a | 2 |
| 17850126 | 10.1021/jm070688r | NON-PROTEIN TARGET | 1 |
| 17850126 | 10.1021/jm070688r | NB69 | 1 |
| 17850126 | 10.1021/jm070688r | ADMET | 1 |
| 19113954 | 10.1021/jm8007008 | Liver microsomes | 1 |
| 19113954 | 10.1021/jm8007008 | ADMET | 1 |
| 19113954 | 10.1021/jm8007008 | Aorta | 1 |
Data from ChEMBL 36 via Core Engine