Compound Detail
CHEMBL228478
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Basic Information
| ChEMBL ID | CHEMBL228478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMNDTYWRUVCTHV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.8
MW (Da)
3.69
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 14000.0 | nM | 4.85 | DPPH radical scavenging activity | 17602526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17602526 | 10.1021/np070061b | No relevant target | 1 |
| 15844965 | 10.1021/np040199j | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine