Assay Detail
ADMET
CHEMBL4390975
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Inhibition of human DHODH using DHO as substrate measured at 4 secs interval for 60 secs by DCIP reduction based indirect assay
28
Total Activities
28
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Dihydroorotate dehydrogenase (quinone), mitochondrial (CHEMBL1966) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Ligand-based design, synthesis and biochemical evaluation of potent and selective inhibitors of Schistosoma mansoni dihydroorotate dehydrogenase.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 28 | 5.92 | 7.43 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL38434 | BREQUINAR | 2.0 | 1 | 7.43 |
| CHEMBL15193 | LAPACHOL | — | 1 | 7.00 |
| CHEMBL4472078 | — | — | 1 | 6.97 |
| CHEMBL4540838 | — | — | 1 | 6.91 |
| CHEMBL973 | TERIFLUNOMIDE | 4.0 | 1 | 6.51 |
| CHEMBL4566973 | — | — | 1 | 6.48 |
| CHEMBL4560384 | — | — | 1 | 6.27 |
| CHEMBL155771 | — | — | 1 | 6.15 |
| CHEMBL4452960 | — | — | 1 | 6.09 |
| CHEMBL4457147 | — | — | 1 | 6.04 |
| CHEMBL4546952 | — | — | 1 | 5.98 |
| CHEMBL4586212 | — | — | 1 | 5.75 |
| CHEMBL2408377 | — | — | 1 | 5.58 |
| CHEMBL1450 | ATOVAQUONE | 4.0 | 1 | 5.57 |
| CHEMBL4524841 | — | — | 1 | 5.44 |
| CHEMBL4474026 | — | — | 1 | 5.34 |
| CHEMBL2041119 | — | — | 1 | 5.17 |
| CHEMBL2023282 | — | — | 1 | 5.10 |
| CHEMBL2408379 | — | — | 1 | 5.00 |
| CHEMBL62718 | — | — | 1 | 5.00 |
| CHEMBL8320 | BENZOQUINONE | — | 1 | 4.47 |
| CHEMBL4527976 | — | — | 1 | - |
| CHEMBL4464250 | — | — | 1 | - |
| CHEMBL240963 | LAWSONE | — | 1 | - |
| CHEMBL4436314 | — | — | 1 | - |
| CHEMBL2408378 | — | — | 1 | - |
| CHEMBL358225 | Cresoquinone | — | 1 | - |
| CHEMBL2252966 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL38434 | BREQUINAR | IC50 | = | 37.0 | nM | 7.43 |
| CHEMBL15193 | LAPACHOL | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL4472078 | — | IC50 | = | 108.0 | nM | 6.97 |
| CHEMBL4540838 | — | IC50 | = | 123.0 | nM | 6.91 |
| CHEMBL973 | TERIFLUNOMIDE | IC50 | = | 312.0 | nM | 6.51 |
| CHEMBL4566973 | — | IC50 | = | 330.0 | nM | 6.48 |
| CHEMBL4560384 | — | IC50 | = | 541.0 | nM | 6.27 |
| CHEMBL155771 | — | IC50 | = | 709.0 | nM | 6.15 |
| CHEMBL4452960 | — | IC50 | = | 808.0 | nM | 6.09 |
| CHEMBL4457147 | — | IC50 | = | 911.0 | nM | 6.04 |
| CHEMBL4546952 | — | IC50 | = | 1050.0 | nM | 5.98 |
| CHEMBL4586212 | — | IC50 | = | 1800.0 | nM | 5.75 |
| CHEMBL2408377 | — | IC50 | = | 2600.0 | nM | 5.58 |
| CHEMBL1450 | ATOVAQUONE | IC50 | = | 2700.0 | nM | 5.57 |
| CHEMBL4524841 | — | IC50 | = | 3600.0 | nM | 5.44 |
| CHEMBL4474026 | — | IC50 | = | 4600.0 | nM | 5.34 |
| CHEMBL2041119 | — | IC50 | = | 6800.0 | nM | 5.17 |
| CHEMBL2023282 | — | IC50 | = | 7900.0 | nM | 5.10 |
| CHEMBL2408379 | — | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL62718 | — | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL8320 | BENZOQUINONE | IC50 | = | 34000.0 | nM | 4.47 |
| CHEMBL4527976 | — | IC50 | - | — | - | |
| CHEMBL4464250 | — | IC50 | - | — | - | |
| CHEMBL240963 | LAWSONE | IC50 | - | — | - | |
| CHEMBL4436314 | — | IC50 | - | — | - | |
| CHEMBL2408378 | — | IC50 | - | — | - | |
| CHEMBL358225 | Cresoquinone | IC50 | - | — | - | |
| CHEMBL2252966 | — | IC50 | - | — | - |