Assay Detail
ADMET
CHEMBL3039489
Review assay metadata, readout intent, target linkage, and publication context from the same page.
pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells
67
Total Activities
67
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Cricetulus griseus |
| Cell Type | CHO |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Target
Solute carrier organic anion transporter family member 1B1 (CHEMBL1697668) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Structure-based identification of OATP1B1/3 inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 67 | 5.76 | 6.99 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1491099 | GANGALEOIDIN | — | 1 | 6.99 |
| CHEMBL1328088 | LEOIDIN | — | 1 | 6.84 |
| CHEMBL1171146 | SARSASAPOGENIN | — | 1 | 6.61 |
| CHEMBL191 | LOSARTAN | 4.0 | 1 | 6.54 |
| CHEMBL1489769 | LASALOCID A SODIUM | — | 1 | 6.32 |
| CHEMBL230006 | ENOXOLONE | 2.0 | 1 | 6.28 |
| CHEMBL15594 | ARACHIDONIC ACID | -1.0 | 1 | 6.22 |
| CHEMBL1293 | BETA CAROTENE | 4.0 | 1 | 6.21 |
| CHEMBL1200701 | DICLOXACILLIN SODIUM | 4.0 | 1 | 6.17 |
| CHEMBL3039300 | UTILIN | — | 1 | 6.17 |
| CHEMBL3039411 | BUSSEIN | — | 1 | 6.16 |
| CHEMBL551842 | LOBARIC ACID | — | 1 | 6.14 |
| CHEMBL1014 | CANDESARTAN CILEXETIL | 4.0 | 1 | 6.14 |
| CHEMBL3039293 | CHUKRASIN METHYL ETHER | — | 1 | 6.12 |
| CHEMBL3138689 | — | — | 1 | 6.09 |
| CHEMBL393220 | ATORVASTATIN CALCIUM | 4.0 | 1 | 6.09 |
| CHEMBL1200467 | HYDROXYZINE PAMOATE | 4.0 | 1 | 6.09 |
| CHEMBL3138678 | — | — | 1 | 6.06 |
| CHEMBL3138660 | — | — | 1 | 6.03 |
| CHEMBL1200692 | OLMESARTAN MEDOXOMIL | 4.0 | 1 | 6.01 |
| CHEMBL3138712 | — | — | 1 | 6.01 |
| CHEMBL1603825 | SCANDENIN | — | 1 | 5.97 |
| CHEMBL228281 | NORSTICTIC ACID | — | 1 | 5.94 |
| CHEMBL1314749 | DECAHYDROGAMBOGIC ACID | — | 1 | 5.94 |
| CHEMBL1456870 | GARCINOLIC ACID | — | 1 | 5.93 |
| CHEMBL501680 | BILIRUBIN | 1.0 | 1 | 5.88 |
| CHEMBL504794 | beta-ESCIN | — | 1 | 5.85 |
| CHEMBL2269376 | METHYL 6-ACETOXYANGOLENSATE | — | 1 | 5.84 |
| CHEMBL3138711 | — | — | 1 | 5.82 |
| CHEMBL3138694 | — | — | 1 | 5.80 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1491099 | GANGALEOIDIN | IC50 | = | 102.33 | nM | 6.99 |
| CHEMBL1328088 | LEOIDIN | IC50 | = | 144.54 | nM | 6.84 |
| CHEMBL1171146 | SARSASAPOGENIN | IC50 | = | 245.47 | nM | 6.61 |
| CHEMBL191 | LOSARTAN | IC50 | = | 288.4 | nM | 6.54 |
| CHEMBL1489769 | LASALOCID A SODIUM | IC50 | = | 478.63 | nM | 6.32 |
| CHEMBL230006 | ENOXOLONE | IC50 | = | 524.81 | nM | 6.28 |
| CHEMBL15594 | ARACHIDONIC ACID | IC50 | = | 602.56 | nM | 6.22 |
| CHEMBL1293 | BETA CAROTENE | IC50 | = | 616.6 | nM | 6.21 |
| CHEMBL1200701 | DICLOXACILLIN SODIUM | IC50 | = | 676.08 | nM | 6.17 |
| CHEMBL3039300 | UTILIN | IC50 | = | 676.08 | nM | 6.17 |
| CHEMBL3039411 | BUSSEIN | IC50 | = | 691.83 | nM | 6.16 |
| CHEMBL551842 | LOBARIC ACID | IC50 | = | 724.44 | nM | 6.14 |
| CHEMBL1014 | CANDESARTAN CILEXETIL | IC50 | = | 724.44 | nM | 6.14 |
| CHEMBL3039293 | CHUKRASIN METHYL ETHER | IC50 | = | 758.58 | nM | 6.12 |
| CHEMBL1200467 | HYDROXYZINE PAMOATE | IC50 | = | 812.83 | nM | 6.09 |
| CHEMBL393220 | ATORVASTATIN CALCIUM | IC50 | = | 812.83 | nM | 6.09 |
| CHEMBL3138689 | — | IC50 | = | 812.83 | nM | 6.09 |
| CHEMBL3138678 | — | IC50 | = | 870.96 | nM | 6.06 |
| CHEMBL3138660 | — | IC50 | = | 933.25 | nM | 6.03 |
| CHEMBL1200692 | OLMESARTAN MEDOXOMIL | IC50 | = | 977.24 | nM | 6.01 |
| CHEMBL3138712 | — | IC50 | = | 977.24 | nM | 6.01 |
| CHEMBL1603825 | SCANDENIN | IC50 | = | 1071.52 | nM | 5.97 |
| CHEMBL228281 | NORSTICTIC ACID | IC50 | = | 1148.15 | nM | 5.94 |
| CHEMBL1314749 | DECAHYDROGAMBOGIC ACID | IC50 | = | 1148.15 | nM | 5.94 |
| CHEMBL1456870 | GARCINOLIC ACID | IC50 | = | 1174.9 | nM | 5.93 |
| CHEMBL501680 | BILIRUBIN | IC50 | = | 1318.26 | nM | 5.88 |
| CHEMBL504794 | beta-ESCIN | IC50 | = | 1412.54 | nM | 5.85 |
| CHEMBL2269376 | METHYL 6-ACETOXYANGOLENSATE | IC50 | = | 1445.44 | nM | 5.84 |
| CHEMBL3138711 | — | IC50 | = | 1513.56 | nM | 5.82 |
| CHEMBL3138694 | — | IC50 | = | 1584.89 | nM | 5.80 |
| CHEMBL464958 | beta-DIHYDROGEDUNOL | IC50 | = | 1698.24 | nM | 5.77 |
| CHEMBL1017 | TELMISARTAN | IC50 | = | 1862.09 | nM | 5.73 |
| CHEMBL1697717 | CARBENOXOLONE SODIUM | IC50 | = | 1949.84 | nM | 5.71 |
| CHEMBL3137741 | — | IC50 | = | 1995.26 | nM | 5.70 |
| CHEMBL3138701 | — | IC50 | = | 2187.76 | nM | 5.66 |
| CHEMBL1526240 | DIHYDROGAMBOGIC ACID | IC50 | = | 2238.72 | nM | 5.65 |
| CHEMBL486193 | GILRETINOL ACETATE | IC50 | = | 2238.72 | nM | 5.65 |
| CHEMBL1436860 | DIMETHYL GAMBOGATE | IC50 | = | 2290.87 | nM | 5.64 |
| CHEMBL3085392 | PRIEURIANIN | IC50 | = | 2344.23 | nM | 5.63 |
| CHEMBL3138652 | — | IC50 | = | 2398.83 | nM | 5.62 |
| CHEMBL210868 | AURIN | IC50 | = | 2630.27 | nM | 5.58 |
| CHEMBL506247 | TANNIC ACID | IC50 | = | 2630.27 | nM | 5.58 |
| CHEMBL71893 | ABIETIC ACID | IC50 | = | 2691.53 | nM | 5.57 |
| CHEMBL434864 | THEAFLAVIN DIGALLATE | IC50 | = | 2754.23 | nM | 5.56 |
| CHEMBL1161 | MOMETASONE FUROATE | IC50 | = | 2951.21 | nM | 5.53 |
| CHEMBL1200688 | ERYTHROMYCIN ETHYLSUCCINATE | IC50 | = | 3019.95 | nM | 5.52 |
| CHEMBL3039417 | ANTHOTHECOL | IC50 | = | 3019.95 | nM | 5.52 |
| CHEMBL1741 | CLARITHROMYCIN | IC50 | = | 3090.3 | nM | 5.51 |
| CHEMBL51483 | GOSSYPOL | IC50 | = | 3235.94 | nM | 5.49 |
| CHEMBL1751 | DIGOXIN | IC50 | = | 3235.94 | nM | 5.49 |