Assay Detail
ADMET
CHEMBL4144852
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Inhibition of CYP3A4 (unknown origin) using BFC as substrate
17
Total Activities
16
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
Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 17 | 5.05 | 5.75 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4169450 | — | — | 1 | 5.75 |
| CHEMBL4175500 | — | — | 1 | 5.62 |
| CHEMBL4086147 | — | — | 1 | 5.03 |
| CHEMBL4171643 | — | — | 1 | 5.00 |
| CHEMBL4167521 | — | — | 1 | 4.96 |
| CHEMBL4164874 | — | — | 1 | 4.92 |
| CHEMBL4167221 | — | — | 1 | 4.92 |
| CHEMBL4096305 | — | — | 1 | 4.89 |
| CHEMBL4174727 | — | — | 1 | 4.89 |
| CHEMBL4161528 | — | — | 1 | 4.82 |
| CHEMBL4160401 | — | — | 1 | 4.72 |
| CHEMBL4159607 | — | — | 1 | - |
| CHEMBL4164075 | — | — | 1 | - |
| CHEMBL4163770 | — | — | 2 | - |
| CHEMBL4175088 | — | — | 1 | - |
| CHEMBL4161850 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4169450 | — | IC50 | = | 1800.0 | nM | 5.75 |
| CHEMBL4175500 | — | IC50 | = | 2400.0 | nM | 5.62 |
| CHEMBL4086147 | — | IC50 | = | 9300.0 | nM | 5.03 |
| CHEMBL4171643 | — | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL4167521 | — | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL4164874 | — | IC50 | = | 12000.0 | nM | 4.92 |
| CHEMBL4167221 | — | IC50 | = | 12000.0 | nM | 4.92 |
| CHEMBL4096305 | — | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL4174727 | — | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL4161528 | — | IC50 | = | 15000.0 | nM | 4.82 |
| CHEMBL4160401 | — | IC50 | = | 19000.0 | nM | 4.72 |
| CHEMBL4159607 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4164075 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4163770 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4163770 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4175088 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4161850 | — | IC50 | > | 20000.0 | nM | - |