Compound Detail
CHEMBL337130
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Basic Information
| ChEMBL ID | CHEMBL337130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHCOEDQDAYSFBQ-SEYXRHQNSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
3.78
ALogP
3
HBA
2
HBD
73.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL2991 | IC50 | 6.68 | 6.68 | 209.0 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL2383 | IC50 | 6.55 | 6.55 | 282.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 209.0 | nM | 6.68 | Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse | 8917650 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 282.0 | nM | 6.55 | Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in r... | 8917650 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 282.0 | nM | 6.55 | Inhibition of rat DHODH | 16979340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8917650 | 10.1021/jm9604437 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 2 |
| 8917650 | 10.1021/jm9604437 | Mus musculus | 1 |
| 8917650 | 10.1021/jm9604437 | Rattus norvegicus | 1 |
| 16979340 | 10.1016/j.bmcl.2006.08.125 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine