Assay Detail
ADMET
CHEMBL666150
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Ratio for inhibition of Cytochrome P450 1A1 to that of Cytochrome P450 1A2
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Effect of structural modification on the inhibitory selectivity of rutaecarpine derivatives on human CYP1A1, CYP1A2, and CYP1B1.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 16 | 8.21 | 9.30 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL86022 | — | — | 1 | 9.30 |
| CHEMBL85826 | — | — | 1 | 9.22 |
| CHEMBL312149 | — | — | 1 | 9.00 |
| CHEMBL413956 | — | — | 1 | 9.00 |
| CHEMBL486598 | EVODIAMINE | — | 1 | 8.70 |
| CHEMBL81923 | DEHYDROEVODIAMINE | — | 1 | 8.52 |
| CHEMBL312848 | — | — | 1 | 8.30 |
| CHEMBL314445 | — | — | 1 | 7.96 |
| CHEMBL312248 | — | — | 1 | 7.96 |
| CHEMBL85139 | RUTAECARPINE | — | 1 | 7.89 |
| CHEMBL85960 | — | — | 1 | 7.80 |
| CHEMBL86078 | — | — | 1 | 7.52 |
| CHEMBL85740 | — | — | 1 | 7.48 |
| CHEMBL314132 | — | — | 1 | 7.35 |
| CHEMBL85106 | — | — | 1 | 7.19 |
| CHEMBL315422 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL86022 | — | IC50 | = | 0.5 | nM | 9.30 |
| CHEMBL85826 | — | IC50 | = | 0.6 | nM | 9.22 |
| CHEMBL312149 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL413956 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL486598 | EVODIAMINE | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL81923 | DEHYDROEVODIAMINE | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL312848 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL314445 | — | IC50 | = | 11.0 | nM | 7.96 |
| CHEMBL312248 | — | IC50 | = | 11.0 | nM | 7.96 |
| CHEMBL85139 | RUTAECARPINE | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL85960 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL86078 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL85740 | — | IC50 | = | 33.0 | nM | 7.48 |
| CHEMBL314132 | — | IC50 | = | 45.0 | nM | 7.35 |
| CHEMBL85106 | — | IC50 | = | 64.0 | nM | 7.19 |
| CHEMBL315422 | — | IC50 | < | 0.003 | nM | - |