Assay Detail
ADMET
CHEMBL4149803
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Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes using AMMC as substrate pretreated for 30 mins followed by NADPH addition measured after 45 mins by fluorescence assay
22
Total Activities
22
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
Discovery of N-Alkyl Piperazine Side Chain Based CXCR4 Antagonists with Improved Drug-like Properties.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 22 | 5.82 | 7.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4163611 | — | — | 1 | 7.52 |
| CHEMBL4174290 | — | — | 1 | 6.96 |
| CHEMBL3091687 | — | — | 1 | 6.50 |
| CHEMBL4164702 | — | — | 1 | 5.98 |
| CHEMBL4170857 | — | — | 1 | 5.85 |
| CHEMBL4159150 | — | — | 1 | 5.84 |
| CHEMBL518924 | MAVORIXAFOR | 4.0 | 1 | 5.79 |
| CHEMBL4159410 | — | — | 1 | 5.73 |
| CHEMBL4167058 | — | — | 1 | 5.67 |
| CHEMBL4172802 | — | — | 1 | 5.53 |
| CHEMBL4160551 | — | — | 1 | 5.38 |
| CHEMBL4166456 | — | — | 1 | 5.38 |
| CHEMBL4170141 | — | — | 1 | 5.29 |
| CHEMBL4165032 | — | — | 1 | 5.25 |
| CHEMBL4167654 | — | — | 1 | 5.22 |
| CHEMBL4159991 | — | — | 1 | 5.18 |
| CHEMBL4162125 | — | — | 1 | - |
| CHEMBL4161613 | — | — | 1 | - |
| CHEMBL4172234 | — | — | 1 | - |
| CHEMBL4175653 | — | — | 1 | - |
| CHEMBL4167467 | — | — | 1 | - |
| CHEMBL4175350 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4163611 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL4174290 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL3091687 | — | IC50 | = | 320.0 | nM | 6.50 |
| CHEMBL4164702 | — | IC50 | = | 1040.0 | nM | 5.98 |
| CHEMBL4170857 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL4159150 | — | IC50 | = | 1430.0 | nM | 5.84 |
| CHEMBL518924 | MAVORIXAFOR | IC50 | = | 1640.0 | nM | 5.79 |
| CHEMBL4159410 | — | IC50 | = | 1870.0 | nM | 5.73 |
| CHEMBL4167058 | — | IC50 | = | 2140.0 | nM | 5.67 |
| CHEMBL4172802 | — | IC50 | = | 2960.0 | nM | 5.53 |
| CHEMBL4160551 | — | IC50 | = | 4140.0 | nM | 5.38 |
| CHEMBL4166456 | — | IC50 | = | 4210.0 | nM | 5.38 |
| CHEMBL4170141 | — | IC50 | = | 5140.0 | nM | 5.29 |
| CHEMBL4165032 | — | IC50 | = | 5600.0 | nM | 5.25 |
| CHEMBL4167654 | — | IC50 | = | 6040.0 | nM | 5.22 |
| CHEMBL4159991 | — | IC50 | = | 6650.0 | nM | 5.18 |
| CHEMBL4162125 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4161613 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4172234 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4175653 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4167467 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL4175350 | — | IC50 | > | 20000.0 | nM | - |