Assay Detail
ADMET
CHEMBL4056593
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Inhibition of CYP3A4 in human hepatocyte microsomes using testosterone substrate by HPLC/MS/MS method
26
Total Activities
22
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Subcellular | Microsomes |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Design and optimization of highly-selective, broad spectrum fungal CYP51 inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 26 | 4.84 | 7.12 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1397 | POSACONAZOLE | 4.0 | 1 | 7.12 |
| CHEMBL4096118 | — | — | 1 | 5.00 |
| CHEMBL106 | FLUCONAZOLE | 4.0 | 1 | 4.50 |
| CHEMBL4063185 | — | — | 1 | 4.22 |
| CHEMBL3311228 | OTESECONAZOLE | 4.0 | 1 | 4.19 |
| CHEMBL4068343 | — | — | 2 | 4.00 |
| CHEMBL4087982 | — | — | 1 | - |
| CHEMBL4059686 | — | — | 1 | - |
| CHEMBL4100049 | — | — | 1 | - |
| CHEMBL4073194 | — | — | 1 | - |
| CHEMBL4080531 | — | — | 1 | - |
| CHEMBL4069838 | — | — | 1 | - |
| CHEMBL4063357 | — | — | 1 | - |
| CHEMBL4064340 | — | — | 2 | - |
| CHEMBL4077246 | — | — | 2 | - |
| CHEMBL4067180 | — | — | 1 | - |
| CHEMBL4073979 | — | — | 2 | - |
| CHEMBL4102268 | — | — | 1 | - |
| CHEMBL4084305 | — | — | 1 | - |
| CHEMBL4075382 | — | — | 1 | - |
| CHEMBL4086421 | — | — | 1 | - |
| CHEMBL4097031 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1397 | POSACONAZOLE | IC50 | = | 75.0 | nM | 7.12 |
| CHEMBL4096118 | — | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL106 | FLUCONAZOLE | IC50 | = | 32000.0 | nM | 4.50 |
| CHEMBL4063185 | — | IC50 | = | 60000.0 | nM | 4.22 |
| CHEMBL3311228 | OTESECONAZOLE | IC50 | = | 65000.0 | nM | 4.19 |
| CHEMBL4068343 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL4068343 | — | IC50 | = | 198000.0 | nM | - |
| CHEMBL4087982 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4059686 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4100049 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4073194 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4080531 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4097031 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4063357 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4064340 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4064340 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4077246 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4077246 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4067180 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4073979 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4073979 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4102268 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4084305 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4075382 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4086421 | — | IC50 | > | 200000.0 | nM | - |
| CHEMBL4069838 | — | IC50 | = | 122000.0 | nM | - |