Assay Detail
ADMET
CHEMBL3373770
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Inhibition of CYP3A4 in human hepatocytes using testosterone as substrate by HPLC/MS/MS method
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Cell Type | Hepatocyte |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Design and optimization of highly-selective fungal CYP51 inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 18 | 4.88 | 7.30 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1397 | POSACONAZOLE | 4.0 | 1 | 7.30 |
| CHEMBL64391 | ITRACONAZOLE | 4.0 | 1 | 7.16 |
| CHEMBL3310994 | — | — | 1 | 6.10 |
| CHEMBL3310992 | — | — | 1 | 5.10 |
| CHEMBL638 | VORICONAZOLE | 4.0 | 1 | 4.89 |
| CHEMBL3311223 | — | — | 1 | 4.80 |
| CHEMBL3310993 | — | — | 1 | 4.50 |
| CHEMBL3311225 | — | — | 1 | 4.44 |
| CHEMBL3309278 | — | — | 1 | 4.34 |
| CHEMBL3358963 | — | — | 1 | 4.29 |
| CHEMBL3311222 | — | — | 1 | 4.28 |
| CHEMBL3311226 | — | — | 1 | 4.27 |
| CHEMBL3311228 | OTESECONAZOLE | 4.0 | 1 | 4.19 |
| CHEMBL3311221 | — | — | 1 | 4.14 |
| CHEMBL3358962 | — | — | 1 | 4.13 |
| CHEMBL3311227 | — | — | 1 | 4.10 |
| CHEMBL3311224 | — | — | 1 | - |
| CHEMBL3310995 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1397 | POSACONAZOLE | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL64391 | ITRACONAZOLE | IC50 | = | 70.0 | nM | 7.16 |
| CHEMBL3310994 | — | IC50 | = | 800.0 | nM | 6.10 |
| CHEMBL3310992 | — | IC50 | = | 8000.0 | nM | 5.10 |
| CHEMBL638 | VORICONAZOLE | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL3311223 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL3310993 | — | IC50 | = | 32000.0 | nM | 4.50 |
| CHEMBL3311225 | — | IC50 | = | 36000.0 | nM | 4.44 |
| CHEMBL3309278 | — | IC50 | = | 46000.0 | nM | 4.34 |
| CHEMBL3358963 | — | IC50 | = | 51000.0 | nM | 4.29 |
| CHEMBL3311222 | — | IC50 | = | 53000.0 | nM | 4.28 |
| CHEMBL3311226 | — | IC50 | = | 54000.0 | nM | 4.27 |
| CHEMBL3311228 | OTESECONAZOLE | IC50 | = | 65000.0 | nM | 4.19 |
| CHEMBL3311221 | — | IC50 | = | 72000.0 | nM | 4.14 |
| CHEMBL3358962 | — | IC50 | = | 74000.0 | nM | 4.13 |
| CHEMBL3311227 | — | IC50 | = | 79000.0 | nM | 4.10 |
| CHEMBL3311224 | — | IC50 | > | 60000.0 | nM | - |
| CHEMBL3310995 | — | IC50 | = | 136000.0 | nM | - |