Assay Detail
ADMET
CHEMBL4413476
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Inhibition of recombinant human CYP3A4 using 7-benzyloxy-trifluoromethylcoumarin as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins
38
Total Activities
38
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 Amides, Carbamates, Sulfonamides, and Ureas of 4-Prop-2-ynylidenecycloalkylamine as Potent, Selective, and Bioavailable Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 38 | 5.20 | 5.72 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4592284 | — | — | 1 | 5.72 |
| CHEMBL4452522 | — | — | 1 | 5.72 |
| CHEMBL4455843 | — | — | 1 | 5.64 |
| CHEMBL4520868 | — | — | 1 | 5.48 |
| CHEMBL4539036 | — | — | 1 | 5.43 |
| CHEMBL4548820 | — | — | 1 | 5.40 |
| CHEMBL4475143 | — | — | 1 | 5.38 |
| CHEMBL3597594 | — | — | 1 | 5.35 |
| CHEMBL4567923 | — | — | 1 | 5.34 |
| CHEMBL4513498 | — | — | 1 | 5.30 |
| CHEMBL4446275 | — | — | 1 | 5.27 |
| CHEMBL4460573 | — | — | 1 | 5.21 |
| CHEMBL4548205 | — | — | 1 | 5.11 |
| CHEMBL4539998 | — | — | 1 | 5.01 |
| CHEMBL4472693 | — | — | 1 | 4.89 |
| CHEMBL4448788 | — | — | 1 | 4.89 |
| CHEMBL4443478 | — | — | 1 | 4.87 |
| CHEMBL4568857 | — | — | 1 | 4.86 |
| CHEMBL4451661 | — | — | 1 | 4.81 |
| CHEMBL4453683 | — | — | 1 | 4.76 |
| CHEMBL4551238 | — | — | 1 | 4.76 |
| CHEMBL4544729 | — | — | 1 | - |
| CHEMBL4472416 | — | — | 1 | - |
| CHEMBL66654 | — | — | 1 | - |
| CHEMBL4551786 | — | — | 1 | - |
| CHEMBL4464549 | — | — | 1 | - |
| CHEMBL292065 | — | — | 1 | - |
| CHEMBL4441707 | — | — | 1 | - |
| CHEMBL4448804 | — | — | 1 | - |
| CHEMBL4439229 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4592284 | — | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL4452522 | — | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL4455843 | — | IC50 | = | 2300.0 | nM | 5.64 |
| CHEMBL4520868 | — | IC50 | = | 3300.0 | nM | 5.48 |
| CHEMBL4539036 | — | IC50 | = | 3700.0 | nM | 5.43 |
| CHEMBL4548820 | — | IC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL4475143 | — | IC50 | = | 4200.0 | nM | 5.38 |
| CHEMBL3597594 | — | IC50 | = | 4500.0 | nM | 5.35 |
| CHEMBL4567923 | — | IC50 | = | 4600.0 | nM | 5.34 |
| CHEMBL4513498 | — | IC50 | = | 5000.0 | nM | 5.30 |
| CHEMBL4446275 | — | IC50 | = | 5400.0 | nM | 5.27 |
| CHEMBL4460573 | — | IC50 | = | 6100.0 | nM | 5.21 |
| CHEMBL4548205 | — | IC50 | = | 7700.0 | nM | 5.11 |
| CHEMBL4539998 | — | IC50 | = | 9700.0 | nM | 5.01 |
| CHEMBL4448788 | — | IC50 | = | 12900.0 | nM | 4.89 |
| CHEMBL4472693 | — | IC50 | = | 12800.0 | nM | 4.89 |
| CHEMBL4443478 | — | IC50 | = | 13400.0 | nM | 4.87 |
| CHEMBL4568857 | — | IC50 | = | 13800.0 | nM | 4.86 |
| CHEMBL4451661 | — | IC50 | = | 15400.0 | nM | 4.81 |
| CHEMBL4453683 | — | IC50 | = | 17200.0 | nM | 4.76 |
| CHEMBL4551238 | — | IC50 | = | 17200.0 | nM | 4.76 |
| CHEMBL4439229 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4464022 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4441964 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4590911 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4483689 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4456792 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4535926 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4542890 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL157101 | KETOCONAZOLE | IC50 | > | 20000.0 | nM | - |
| CHEMBL4448804 | — | IC50 | > | 2000.0 | nM | - |
| CHEMBL4441707 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL292065 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL4464549 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4551786 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL66654 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL4472416 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4544729 | — | IC50 | > | 20000.0 | nM | - |