Compound Detail
CHEMBL4554996
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Basic Information
| ChEMBL ID | CHEMBL4554996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIOJSXPYNKWTRI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
3.70
ALogP
6
HBA
0
HBD
52.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 7.02 | 7.02 | 94.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 94.85 | nM | 7.02 | Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... | 30956014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30956014 | 10.1016/j.bmcl.2019.04.002 | No relevant target | 2 |
| 30956014 | 10.1016/j.bmcl.2019.04.002 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine