Assay Detail
ADMET
CHEMBL4812792
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Inhibition of human MAO-A
34
Total Activities
34
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
Novel 1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-indene-4-thiol derivatives as potent selective human monoamine oxidase B inhibitors: Design, SAR development, and biological evaluation.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 34 | 5.68 | 7.68 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL8706 | CLORGILINE | 2.0 | 1 | 7.68 |
| CHEMBL4866653 | — | — | 1 | 7.13 |
| CHEMBL4877043 | — | — | 1 | 6.55 |
| CHEMBL4853325 | — | — | 1 | 6.50 |
| CHEMBL4868008 | — | — | 1 | 6.31 |
| CHEMBL4874605 | — | — | 1 | 6.21 |
| CHEMBL4860189 | — | — | 1 | 6.04 |
| CHEMBL4875936 | — | — | 1 | 6.03 |
| CHEMBL887 | RASAGILINE | 4.0 | 1 | 6.00 |
| CHEMBL4857349 | — | — | 1 | 5.96 |
| CHEMBL4868641 | — | — | 1 | 5.90 |
| CHEMBL4873465 | — | — | 1 | 5.83 |
| CHEMBL4864573 | — | — | 1 | 5.82 |
| CHEMBL4850189 | — | — | 1 | 5.58 |
| CHEMBL4853169 | — | — | 1 | 5.55 |
| CHEMBL4854062 | — | — | 1 | 5.42 |
| CHEMBL4875992 | — | — | 1 | 5.40 |
| CHEMBL4858339 | — | — | 1 | 5.34 |
| CHEMBL4851258 | — | — | 1 | 5.34 |
| CHEMBL4861804 | — | — | 1 | 5.30 |
| CHEMBL4864153 | — | — | 1 | 5.27 |
| CHEMBL4862202 | — | — | 1 | 5.11 |
| CHEMBL4860050 | — | — | 1 | 5.11 |
| CHEMBL4866427 | — | — | 1 | 5.06 |
| CHEMBL4865811 | — | — | 1 | 4.95 |
| CHEMBL4868937 | — | — | 1 | 4.94 |
| CHEMBL4877328 | — | — | 1 | 4.65 |
| CHEMBL4871606 | — | — | 1 | 4.16 |
| CHEMBL396778 | SAFINAMIDE | 4.0 | 1 | - |
| CHEMBL4847352 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL8706 | CLORGILINE | IC50 | = | 21.0 | nM | 7.68 |
| CHEMBL4866653 | — | IC50 | = | 74.0 | nM | 7.13 |
| CHEMBL4877043 | — | IC50 | = | 280.0 | nM | 6.55 |
| CHEMBL4853325 | — | IC50 | = | 320.0 | nM | 6.50 |
| CHEMBL4868008 | — | IC50 | = | 488.0 | nM | 6.31 |
| CHEMBL4874605 | — | IC50 | = | 620.0 | nM | 6.21 |
| CHEMBL4860189 | — | IC50 | = | 920.0 | nM | 6.04 |
| CHEMBL4875936 | — | IC50 | = | 930.0 | nM | 6.03 |
| CHEMBL887 | RASAGILINE | IC50 | = | 1010.0 | nM | 6.00 |
| CHEMBL4857349 | — | IC50 | = | 1090.0 | nM | 5.96 |
| CHEMBL4868641 | — | IC50 | = | 1250.0 | nM | 5.90 |
| CHEMBL4873465 | — | IC50 | = | 1480.0 | nM | 5.83 |
| CHEMBL4864573 | — | IC50 | = | 1520.0 | nM | 5.82 |
| CHEMBL4850189 | — | IC50 | = | 2630.0 | nM | 5.58 |
| CHEMBL4853169 | — | IC50 | = | 2820.0 | nM | 5.55 |
| CHEMBL4854062 | — | IC50 | = | 3820.0 | nM | 5.42 |
| CHEMBL4875992 | — | IC50 | = | 3964.0 | nM | 5.40 |
| CHEMBL4858339 | — | IC50 | = | 4590.0 | nM | 5.34 |
| CHEMBL4851258 | — | IC50 | = | 4520.0 | nM | 5.34 |
| CHEMBL4861804 | — | IC50 | = | 4960.0 | nM | 5.30 |
| CHEMBL4864153 | — | IC50 | = | 5410.0 | nM | 5.27 |
| CHEMBL4862202 | — | IC50 | = | 7810.0 | nM | 5.11 |
| CHEMBL4860050 | — | IC50 | = | 7710.0 | nM | 5.11 |
| CHEMBL4866427 | — | IC50 | = | 8780.0 | nM | 5.06 |
| CHEMBL4865811 | — | IC50 | = | 11270.0 | nM | 4.95 |
| CHEMBL4868937 | — | IC50 | = | 11550.0 | nM | 4.94 |
| CHEMBL4877328 | — | IC50 | = | 22270.0 | nM | 4.65 |
| CHEMBL4871606 | — | IC50 | = | 69300.0 | nM | 4.16 |
| CHEMBL396778 | SAFINAMIDE | IC50 | = | 223500.0 | nM | - |
| CHEMBL4847352 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL4166555 | — | IC50 | - | — | - | |
| CHEMBL4871614 | — | IC50 | - | — | - | |
| CHEMBL4877335 | — | IC50 | - | — | - | |
| CHEMBL4871244 | — | IC50 | > | 100000.0 | nM | - |