Assay Detail
ADMET
CHEMBL2173430
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Inhibition of CYP2D6 in human liver microsomes using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7- methoxy-4-methylcoumarin 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 | 4.84 | 5.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2170631 | — | — | 1 | 5.00 |
| CHEMBL2170635 | — | — | 1 | 4.96 |
| CHEMBL2170638 | — | — | 1 | 4.92 |
| CHEMBL2170607 | — | — | 1 | 4.77 |
| CHEMBL2170637 | — | — | 1 | 4.57 |
| CHEMBL2170609 | — | — | 1 | - |
| CHEMBL2170608 | — | — | 1 | - |
| CHEMBL2170606 | — | — | 1 | - |
| CHEMBL2170605 | — | — | 1 | - |
| CHEMBL2170618 | — | — | 1 | - |
| CHEMBL2170617 | — | — | 1 | - |
| CHEMBL2170615 | — | — | 1 | - |
| CHEMBL2170639 | — | — | 1 | - |
| CHEMBL2170636 | — | — | 1 | - |
| CHEMBL2170633 | — | — | 1 | - |
| CHEMBL2170632 | — | — | 1 | - |
| CHEMBL2170630 | — | — | 1 | - |
| CHEMBL2170629 | — | — | 1 | - |
| CHEMBL2170643 | — | — | 1 | - |
| CHEMBL2170610 | BI 9627 | — | 1 | - |
| CHEMBL2170642 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2170631 | — | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL2170635 | — | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL2170638 | — | IC50 | = | 12000.0 | nM | 4.92 |
| CHEMBL2170607 | — | IC50 | = | 17000.0 | nM | 4.77 |
| CHEMBL2170637 | — | IC50 | = | 27000.0 | nM | 4.57 |
| CHEMBL2170609 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170608 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170606 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170605 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170618 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170617 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170615 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170639 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170636 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170633 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170632 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170630 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170629 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170643 | — | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170610 | BI 9627 | IC50 | > | 30000.0 | nM | - |
| CHEMBL2170642 | — | IC50 | > | 30000.0 | nM | - |