Assay Detail
ADMET
CHEMBL3532211
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Mixed inhibition of CYP2A6 (unknown origin)
7
Total Activities
7
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 |
Publication
Evaluation of inhibition selectivity for human cytochrome P450 2A enzymes.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 7 | 5.86 | 6.89 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3989843 | TRANYLCYPROMINE | 4.0 | 1 | 6.89 |
| CHEMBL416 | METHOXSALEN | 4.0 | 1 | 6.60 |
| CHEMBL151649 | PHENETHYLISOTHIOCYANATE | — | 1 | 5.77 |
| CHEMBL3526658 | — | — | 1 | 5.70 |
| CHEMBL550 | PILOCARPINE | 4.0 | 1 | 5.52 |
| CHEMBL3188333 | — | — | 1 | 5.44 |
| CHEMBL1522291 | NICOTYRINE | — | 1 | 5.12 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3989843 | TRANYLCYPROMINE | Ki | = | 130.0 | nM | 6.89 |
| CHEMBL416 | METHOXSALEN | Ki | = | 250.0 | nM | 6.60 |
| CHEMBL151649 | PHENETHYLISOTHIOCYANATE | Ki | = | 1700.0 | nM | 5.77 |
| CHEMBL3526658 | — | Ki | = | 2000.0 | nM | 5.70 |
| CHEMBL550 | PILOCARPINE | Ki | = | 3000.0 | nM | 5.52 |
| CHEMBL3188333 | — | Ki | = | 3600.0 | nM | 5.44 |
| CHEMBL1522291 | NICOTYRINE | Ki | = | 7500.0 | nM | 5.12 |