Assay Detail
ADMET
CHEMBL832148
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibitory activity against recombinant human Cytochrome P450 2D6 (CYP2D6) after incubated for 45 minutes
36
Total Activities
36
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
A 3D-QSAR model for CYP2D6 inhibition in the aryloxypropanolamine series.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 36 | 6.22 | 7.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL95499 | — | — | 1 | 7.52 |
| CHEMBL179332 | — | — | 1 | 7.52 |
| CHEMBL435551 | — | — | 1 | 7.52 |
| CHEMBL367605 | — | — | 1 | 7.40 |
| CHEMBL181322 | — | — | 1 | 7.40 |
| CHEMBL178206 | — | — | 1 | 7.40 |
| CHEMBL321582 | BUCINDOLOL | 2.0 | 1 | 7.30 |
| CHEMBL179338 | — | — | 1 | 7.30 |
| CHEMBL178100 | — | — | 1 | 7.30 |
| CHEMBL361947 | — | — | 1 | 7.30 |
| CHEMBL317164 | — | — | 1 | 7.30 |
| CHEMBL180620 | — | — | 1 | 7.16 |
| CHEMBL426596 | — | — | 1 | 7.10 |
| CHEMBL361365 | — | — | 1 | 7.05 |
| CHEMBL361646 | — | — | 1 | 6.96 |
| CHEMBL180922 | — | — | 1 | 6.92 |
| CHEMBL180975 | — | — | 1 | 6.92 |
| CHEMBL178201 | — | — | 1 | 6.55 |
| CHEMBL440203 | — | — | 1 | 6.51 |
| CHEMBL182195 | — | — | 1 | 6.46 |
| CHEMBL178963 | — | — | 1 | 6.38 |
| CHEMBL426605 | — | — | 1 | 6.17 |
| CHEMBL27 | PROPRANOLOL | 4.0 | 1 | 5.72 |
| CHEMBL360757 | — | — | 1 | 5.68 |
| CHEMBL178125 | — | — | 1 | 5.42 |
| CHEMBL181620 | — | — | 1 | 5.32 |
| CHEMBL360096 | — | — | 1 | 5.08 |
| CHEMBL499 | TIMOLOL | 4.0 | 1 | 4.96 |
| CHEMBL181895 | — | — | 1 | 4.92 |
| CHEMBL7154 | — | — | 1 | 4.75 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL95499 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL435551 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL179332 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL367605 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL181322 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL178206 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL317164 | — | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL361947 | — | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL178100 | — | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL179338 | — | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL321582 | BUCINDOLOL | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL180620 | — | IC50 | = | 70.0 | nM | 7.16 |
| CHEMBL426596 | — | IC50 | = | 80.0 | nM | 7.10 |
| CHEMBL361365 | — | IC50 | = | 90.0 | nM | 7.05 |
| CHEMBL361646 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL180922 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL180975 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL178201 | — | IC50 | = | 280.0 | nM | 6.55 |
| CHEMBL440203 | — | IC50 | = | 310.0 | nM | 6.51 |
| CHEMBL182195 | — | IC50 | = | 350.0 | nM | 6.46 |
| CHEMBL178963 | — | IC50 | = | 420.0 | nM | 6.38 |
| CHEMBL426605 | — | IC50 | = | 670.0 | nM | 6.17 |
| CHEMBL27 | PROPRANOLOL | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL360757 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL178125 | — | IC50 | = | 3800.0 | nM | 5.42 |
| CHEMBL181620 | — | IC50 | = | 4800.0 | nM | 5.32 |
| CHEMBL360096 | — | IC50 | = | 8400.0 | nM | 5.08 |
| CHEMBL499 | TIMOLOL | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL181895 | — | IC50 | = | 12000.0 | nM | 4.92 |
| CHEMBL7154 | — | IC50 | = | 18000.0 | nM | 4.75 |
| CHEMBL180678 | — | IC50 | = | 21000.0 | nM | 4.68 |
| CHEMBL178501 | — | IC50 | = | 21000.0 | nM | 4.68 |
| CHEMBL13 | METOPROLOL | IC50 | = | 24000.0 | nM | 4.62 |
| CHEMBL180767 | — | IC50 | = | 28000.0 | nM | 4.55 |
| CHEMBL423 | BETAXOLOL | IC50 | = | 66000.0 | nM | 4.18 |
| CHEMBL359496 | — | IC50 | = | 100000.0 | nM | 4.00 |