Assay Detail
ADMET
CHEMBL3532210
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Mixed inhibition of CYP2A13 (unknown origin)
5
Total Activities
5
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 | 5 | 5.42 | 7.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL416 | METHOXSALEN | 4.0 | 1 | 7.40 |
| CHEMBL151649 | PHENETHYLISOTHIOCYANATE | — | 1 | 5.42 |
| CHEMBL1522291 | NICOTYRINE | — | 1 | 5.25 |
| CHEMBL3188333 | — | — | 1 | 4.77 |
| CHEMBL3526658 | — | — | 1 | 4.27 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL416 | METHOXSALEN | Ki | = | 40.0 | nM | 7.40 |
| CHEMBL151649 | PHENETHYLISOTHIOCYANATE | Ki | = | 3800.0 | nM | 5.42 |
| CHEMBL1522291 | NICOTYRINE | Ki | = | 5600.0 | nM | 5.25 |
| CHEMBL3188333 | — | Ki | = | 17000.0 | nM | 4.77 |
| CHEMBL3526658 | — | Ki | = | 54000.0 | nM | 4.27 |