Compound Detail
CHEMBL228673
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Basic Information
| ChEMBL ID | CHEMBL228673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPAKNHWXZDQHSL-ZZXKWVIFSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
3.08
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.92 | 5.63 | 1210.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.92 | 5.25 | 1210.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1210.0 | nM | 5.92 | Peroxynitrite scavenging activity assessed as inhibition of DHR oxidation in pre... | 17624791 |
| NON-PROTEIN TARGET | IC50 | = | 1210.0 | nM | 5.92 | Antioxidant activity assessed as peroxynitrite radical scavenging activity in pr... | 18706820 |
| Unchecked | IC50 | = | 1250.0 | nM | 5.9 | Peroxynitrite scavenging activity assessed as inhibition of DHR oxidation | 17624791 |
| NON-PROTEIN TARGET | IC50 | = | 1250.0 | nM | 5.9 | Antioxidant activity assessed as peroxynitrite radical scavenging activity in ab... | 18706820 |
| Unchecked | IC50 | = | 8500.0 | nM | 5.07 | Hypochlorous acid scavenging activity assessed as inhibition of DHR oxidation | 17624791 |
| NON-PROTEIN TARGET | IC50 | = | 8500.0 | nM | 5.07 | Antioxidant activity assessed as hypochlorous acid scavenging activity | 18706820 |
| Unchecked | IC50 | = | 77700.0 | nM | 4.11 | Superoxide radical scavenging activity by NBT reduction assay | 17624791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17624791 | 10.1016/j.bmc.2007.06.046 | Unchecked | 7 |
| 18706820 | 10.1016/j.bmc.2008.07.072 | NON-PROTEIN TARGET | 5 |
Data from ChEMBL 36 via Core Engine