Compound Detail
CHEMBL2181473
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Basic Information
| ChEMBL ID | CHEMBL2181473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDYUOXYSJMICRW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2221190 |
| Active Moiety | CHEMBL2221190 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
1.85
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.17 | 6.17 | 670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 250.0 | nM | 6.6 | Antioxidant activity assessed as scavenging of morpholino sydononimine based nit... | 23151013 |
| NON-PROTEIN TARGET | IC50 | = | 670.0 | nM | 6.17 | Antioxidant activity assessed as scavenging of glucose oxidase-generated H2O2 an... | 23151013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23151013 | 10.1021/jm301411g | H9c2 | 3 |
| 23151013 | 10.1021/jm301411g | Unchecked | 2 |
| 23151013 | 10.1021/jm301411g | NON-PROTEIN TARGET | 2 |
| 23151013 | 10.1021/jm301411g | Radical scavenging activity | 1 |
| 23151013 | 10.1021/jm301411g | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine