Compound Detail
CHEMBL1171360
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Basic Information
| ChEMBL ID | CHEMBL1171360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSRSQVRNKBKCJP-CAOOACKPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
1.57
ALogP
6
HBA
2
HBD
93.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 18000.0 | nM | 4.75 | Antioxidant activity assessed as DPPH radical scavenging activity after | 20403645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20403645 | 10.1016/j.ejmech.2010.03.031 | NON-PROTEIN TARGET | 5 |
| 20403645 | 10.1016/j.ejmech.2010.03.031 | Radical scavenging activity | 1 |
| 20403645 | 10.1016/j.ejmech.2010.03.031 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine