Compound Detail
CHEMBL2315196
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Basic Information
| ChEMBL ID | CHEMBL2315196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRNRYTRRVXCTGY-YRNVUSSQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
5.57
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotomet... | 23291118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23291118 | 10.1016/j.ejmech.2012.11.043 | ADMET | 5 |
| 23291118 | 10.1016/j.ejmech.2012.11.043 | Radical scavenging activity | 2 |
| 23291118 | 10.1016/j.ejmech.2012.11.043 | Rattus norvegicus | 2 |
| 23291118 | 10.1016/j.ejmech.2012.11.043 | No relevant target | 1 |
| 23291118 | 10.1016/j.ejmech.2012.11.043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine