Assay Detail
ADMET
CHEMBL4148162
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Cytotoxicity against rat L6 cells assessed as reduction in cell viability after 70 hrs by Alamar blue assay
65
Total Activities
65
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Rattus norvegicus |
| Cell Type | L6 |
| Confidence | 1 — Organism |
| Curated By | Intermediate |
Publication
Machine learning prioritizes synthesis of primaquine ureidoamides with high antimalarial activity and attenuated cytotoxicity.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 65 | 4.69 | 5.46 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4173798 | — | — | 1 | 5.46 |
| CHEMBL4174634 | — | — | 1 | 5.44 |
| CHEMBL4176541 | — | — | 1 | 5.14 |
| CHEMBL3330899 | — | — | 1 | 5.08 |
| CHEMBL3330898 | — | — | 1 | 4.98 |
| CHEMBL4162377 | — | — | 1 | 4.97 |
| CHEMBL4166337 | — | — | 1 | 4.86 |
| CHEMBL3884036 | — | — | 1 | 4.83 |
| CHEMBL3884203 | — | — | 1 | 4.83 |
| CHEMBL4165924 | — | — | 1 | 4.81 |
| CHEMBL3329237 | — | — | 1 | 4.80 |
| CHEMBL4165876 | — | — | 1 | 4.79 |
| CHEMBL3220025 | — | — | 1 | 4.78 |
| CHEMBL3220020 | — | — | 1 | 4.73 |
| CHEMBL4173054 | — | — | 1 | 4.60 |
| CHEMBL4176432 | — | — | 1 | 4.55 |
| CHEMBL4175337 | — | — | 1 | 4.54 |
| CHEMBL3885179 | — | — | 1 | 4.49 |
| CHEMBL4163981 | — | — | 1 | 4.44 |
| CHEMBL4167427 | — | — | 1 | 4.43 |
| CHEMBL3885376 | — | — | 1 | 4.41 |
| CHEMBL4176362 | — | — | 1 | 4.27 |
| CHEMBL3884615 | — | — | 1 | 4.23 |
| CHEMBL43128 | PRIMAQUINE PHOSPHATE | 4.0 | 1 | 4.22 |
| CHEMBL3330902 | — | — | 1 | 4.12 |
| CHEMBL3884574 | — | — | 1 | 4.04 |
| CHEMBL4163097 | — | — | 1 | - |
| CHEMBL4176036 | — | — | 1 | - |
| CHEMBL4165473 | — | — | 1 | - |
| CHEMBL3330903 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4173798 | — | IC50 | = | 3500.0 | nM | 5.46 |
| CHEMBL4174634 | — | IC50 | = | 3600.0 | nM | 5.44 |
| CHEMBL4176541 | — | IC50 | = | 7300.0 | nM | 5.14 |
| CHEMBL3330899 | — | IC50 | = | 8400.0 | nM | 5.08 |
| CHEMBL3330898 | — | IC50 | = | 10400.0 | nM | 4.98 |
| CHEMBL4162377 | — | IC50 | = | 10600.0 | nM | 4.97 |
| CHEMBL4166337 | — | IC50 | = | 13900.0 | nM | 4.86 |
| CHEMBL3884036 | — | IC50 | = | 14900.0 | nM | 4.83 |
| CHEMBL3884203 | — | IC50 | = | 14900.0 | nM | 4.83 |
| CHEMBL4165924 | — | IC50 | = | 15500.0 | nM | 4.81 |
| CHEMBL3329237 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL4165876 | — | IC50 | = | 16200.0 | nM | 4.79 |
| CHEMBL3220025 | — | IC50 | = | 16800.0 | nM | 4.78 |
| CHEMBL3220020 | — | IC50 | = | 18500.0 | nM | 4.73 |
| CHEMBL4173054 | — | IC50 | = | 25100.0 | nM | 4.60 |
| CHEMBL4176432 | — | IC50 | = | 28300.0 | nM | 4.55 |
| CHEMBL4175337 | — | IC50 | = | 29000.0 | nM | 4.54 |
| CHEMBL3885179 | — | IC50 | = | 32100.0 | nM | 4.49 |
| CHEMBL4163981 | — | IC50 | = | 36500.0 | nM | 4.44 |
| CHEMBL4167427 | — | IC50 | = | 37000.0 | nM | 4.43 |
| CHEMBL3885376 | — | IC50 | = | 38700.0 | nM | 4.41 |
| CHEMBL4176362 | — | IC50 | = | 54000.0 | nM | 4.27 |
| CHEMBL3884615 | — | IC50 | = | 58600.0 | nM | 4.23 |
| CHEMBL43128 | PRIMAQUINE PHOSPHATE | IC50 | = | 59500.0 | nM | 4.22 |
| CHEMBL3330902 | — | IC50 | = | 76600.0 | nM | 4.12 |
| CHEMBL3884574 | — | IC50 | = | 91900.0 | nM | 4.04 |
| CHEMBL4174900 | — | IC50 | > | 140000.0 | nM | - |
| CHEMBL3330911 | — | IC50 | > | 195000.0 | nM | - |
| CHEMBL1739045 | — | IC50 | > | 180000.0 | nM | - |
| CHEMBL3330913 | — | IC50 | > | 171000.0 | nM | - |
| CHEMBL3330910 | — | IC50 | = | 140000.0 | nM | - |
| CHEMBL455392 | — | IC50 | - | — | - | |
| CHEMBL3330914 | — | IC50 | - | — | - | |
| CHEMBL559800 | — | IC50 | - | — | - | |
| CHEMBL4165001 | — | IC50 | > | 120000.0 | nM | - |
| CHEMBL4172194 | — | IC50 | > | 150000.0 | nM | - |
| CHEMBL4161579 | — | IC50 | > | 160000.0 | nM | - |
| CHEMBL4168504 | — | IC50 | > | 160000.0 | nM | - |
| CHEMBL4163097 | — | IC50 | - | — | - | |
| CHEMBL4167014 | — | IC50 | > | 170000.0 | nM | - |
| CHEMBL3330900 | — | IC50 | = | 136100.0 | nM | - |
| CHEMBL4172699 | — | IC50 | > | 210000.0 | nM | - |
| CHEMBL4168120 | — | IC50 | - | — | - | |
| CHEMBL3330901 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL4162024 | — | IC50 | > | 220000.0 | nM | - |
| CHEMBL2316805 | — | IC50 | > | 240000.0 | nM | - |
| CHEMBL4166136 | — | IC50 | - | — | - | |
| CHEMBL3330903 | — | IC50 | - | — | - | |
| CHEMBL4165473 | — | IC50 | > | 250000.0 | nM | - |
| CHEMBL4176036 | — | IC50 | - | — | - |