Assay Detail
ADMET
CHEMBL2173431
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Inhibition of CYP2C9 in human liver microsomes using 7-methoxy-4-(trifluoromethyl)-coumarin as substrate after 45 mins by LC/MS/MS analysis
21
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Tissue | Liver |
| Subcellular | Microsome |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Identification of a potent sodium hydrogen exchanger isoform 1 (NHE1) inhibitor with a suitable profile for chronic dosing and demonstrated cardioprotective effects in a preclinical model of myocardial infarction in the rat.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 21 | 5.03 | 6.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2170635 | — | — | 1 | 6.40 |
| CHEMBL2170637 | — | — | 1 | 5.52 |
| CHEMBL2170631 | — | — | 1 | 5.40 |
| CHEMBL2170638 | — | — | 1 | 5.40 |
| CHEMBL2170607 | — | — | 1 | 5.22 |
| CHEMBL2170642 | — | — | 1 | 5.16 |
| CHEMBL2170606 | — | — | 1 | 5.16 |
| CHEMBL2170643 | — | — | 1 | 5.10 |
| CHEMBL2170636 | — | — | 1 | 4.89 |
| CHEMBL2170629 | — | — | 1 | 4.89 |
| CHEMBL2170615 | — | — | 1 | 4.80 |
| CHEMBL2170605 | — | — | 1 | 4.77 |
| CHEMBL2170617 | — | — | 1 | 4.75 |
| CHEMBL2170630 | — | — | 1 | 4.72 |
| CHEMBL2170609 | — | — | 1 | 4.68 |
| CHEMBL2170618 | — | — | 1 | 4.60 |
| CHEMBL2170608 | — | — | 1 | 4.60 |
| CHEMBL2170639 | — | — | 1 | 4.54 |
| CHEMBL2170633 | — | — | 1 | - |
| CHEMBL2170632 | — | — | 1 | - |
| CHEMBL2170610 | BI 9627 | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2170635 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL2170637 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL2170631 | — | IC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL2170638 | — | IC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL2170607 | — | IC50 | = | 6000.0 | nM | 5.22 |
| CHEMBL2170642 | — | IC50 | = | 7000.0 | nM | 5.16 |
| CHEMBL2170606 | — | IC50 | = | 7000.0 | nM | 5.16 |
| CHEMBL2170643 | — | IC50 | = | 8000.0 | nM | 5.10 |
| CHEMBL2170636 | — | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL2170629 | — | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL2170615 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL2170605 | — | IC50 | = | 17000.0 | nM | 4.77 |
| CHEMBL2170617 | — | IC50 | = | 18000.0 | nM | 4.75 |
| CHEMBL2170630 | — | IC50 | = | 19000.0 | nM | 4.72 |
| CHEMBL2170609 | — | IC50 | = | 21000.0 | nM | 4.68 |
| CHEMBL2170618 | — | IC50 | = | 25000.0 | nM | 4.60 |
| CHEMBL2170608 | — | IC50 | = | 25000.0 | nM | 4.60 |
| CHEMBL2170639 | — | IC50 | = | 29000.0 | nM | 4.54 |
| CHEMBL2170633 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170632 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170610 | BI 9627 | IC50 | > | 30000.0 | nM | - |