Compound Detail
CHEMBL439507
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Basic Information
| ChEMBL ID | CHEMBL439507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXZBZBRETOMEPX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.3
MW (Da)
4.73
ALogP
5
HBA
3
HBD
100.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial complex II; succinate dehydrogenase CHEMBL613815 | IC50 | 8.3 | 7.02 | 5.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial complex II; succinate dehydrogenase | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Septoria nodorum succinate dehydrogenase and Qi site of mitochondr... | 16854082 |
| Mitochondrial complex II; succinate dehydrogenase | IC50 | = | 1815.0 | nM | 5.74 | Inhibition of Septoria nodorum succinate dehydrogenase by FMET2 assay | 16854082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854082 | 10.1021/jm060408s | Parastagonospora nodorum | 2 |
| 16854082 | 10.1021/jm060408s | Mitochondrial complex II; succinate dehydrogenase | 2 |
Data from ChEMBL 36 via Core Engine