Compound Detail
CHEMBL1797800
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Basic Information
| ChEMBL ID | CHEMBL1797800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTXGTPDFJYOAOU-MOTXBLPSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.43
ALogP
7
HBA
1
HBD
83.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | EC50 | 4.12 | 4.12 | 75500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | EC50 | = | 75500.0 | nM | 4.12 | Antioxidant activity assessed as DPPH radical scavenging activity | 21601463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21601463 | 10.1016/j.bmc.2011.04.055 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine