Compound Detail
CHEMBL412355
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Basic Information
| ChEMBL ID | CHEMBL412355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIKUPYQBJLSNAS-VOTSOKGWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
162.2
MW (Da)
1.99
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 4.42 | 4.42 | 37757.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 37757.22 | nM | 4.42 | Inhibitory concentration against peroxidation of rabbits red blood cell (RBC) me... | 15911266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15911266 | 10.1016/j.bmcl.2005.03.087 | Oryctolagus cuniculus | 2 |
| 12161116 | 10.1016/s0960-894x(02)00428-6 | Escherichia coli | 1 |
| 9857096 | 10.1021/jm980424s | Quinone oxidoreductase | 1 |
| 21183341 | 10.1016/j.bmcl.2010.11.114 | SW-620 | 1 |
| 29223100 | 10.1016/j.ejmech.2017.11.048 | Luciferin 4-monooxygenase | 1 |
Data from ChEMBL 36 via Core Engine