Assay Detail
ADMET
CHEMBL4413474
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of recombinant human CYP1A2 using 3-cyano-7-ethoxycoumarin as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins
30
Total Activities
30
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 | 30 | 5.42 | 6.05 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4439229 | — | — | 1 | 6.05 |
| CHEMBL4455843 | — | — | 1 | 5.85 |
| CHEMBL4464549 | — | — | 1 | 5.73 |
| CHEMBL4446275 | — | — | 1 | 5.70 |
| CHEMBL4451661 | — | — | 1 | 5.47 |
| CHEMBL4544729 | — | — | 1 | 5.40 |
| CHEMBL4548205 | — | — | 1 | 5.36 |
| CHEMBL4551786 | — | — | 1 | 5.34 |
| CHEMBL405845 | FURAFYLLINE | 2.0 | 1 | 5.34 |
| CHEMBL4539036 | — | — | 1 | 5.33 |
| CHEMBL4441707 | — | — | 1 | 5.30 |
| CHEMBL4448788 | — | — | 1 | 5.23 |
| CHEMBL4590911 | — | — | 1 | 5.21 |
| CHEMBL4542890 | — | — | 1 | 5.02 |
| CHEMBL4551238 | — | — | 1 | 4.98 |
| CHEMBL4513498 | — | — | 1 | - |
| CHEMBL4592284 | — | — | 1 | - |
| CHEMBL4452522 | — | — | 1 | - |
| CHEMBL4535926 | — | — | 1 | - |
| CHEMBL4456792 | — | — | 1 | - |
| CHEMBL4460573 | — | — | 1 | - |
| CHEMBL4567923 | — | — | 1 | - |
| CHEMBL4483689 | — | — | 1 | - |
| CHEMBL4441964 | — | — | 1 | - |
| CHEMBL4464022 | — | — | 1 | - |
| CHEMBL4472693 | — | — | 1 | - |
| CHEMBL4475143 | — | — | 1 | - |
| CHEMBL4472416 | — | — | 1 | - |
| CHEMBL3597594 | — | — | 1 | - |
| CHEMBL4539998 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4439229 | — | IC50 | = | 900.0 | nM | 6.05 |
| CHEMBL4455843 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL4464549 | — | IC50 | = | 1850.0 | nM | 5.73 |
| CHEMBL4446275 | — | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL4451661 | — | IC50 | = | 3400.0 | nM | 5.47 |
| CHEMBL4544729 | — | IC50 | = | 4000.0 | nM | 5.40 |
| CHEMBL4548205 | — | IC50 | = | 4400.0 | nM | 5.36 |
| CHEMBL4551786 | — | IC50 | = | 4520.0 | nM | 5.34 |
| CHEMBL405845 | FURAFYLLINE | IC50 | = | 4520.0 | nM | 5.34 |
| CHEMBL4539036 | — | IC50 | = | 4700.0 | nM | 5.33 |
| CHEMBL4441707 | — | IC50 | = | 5000.0 | nM | 5.30 |
| CHEMBL4448788 | — | IC50 | = | 5900.0 | nM | 5.23 |
| CHEMBL4590911 | — | IC50 | = | 6100.0 | nM | 5.21 |
| CHEMBL4542890 | — | IC50 | = | 9600.0 | nM | 5.02 |
| CHEMBL4551238 | — | IC50 | = | 10400.0 | nM | 4.98 |
| CHEMBL4513498 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4592284 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4452522 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4535926 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4456792 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4460573 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4567923 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4483689 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4441964 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4464022 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4472693 | — | IC50 | < | 700.0 | nM | - |
| CHEMBL4475143 | — | IC50 | < | 700.0 | nM | - |
| CHEMBL4472416 | — | IC50 | < | 700.0 | nM | - |
| CHEMBL3597594 | — | IC50 | < | 700.0 | nM | - |
| CHEMBL4539998 | — | IC50 | < | 700.0 | nM | - |