Season 3 (Chagas disease): per-season admission limits, panel verdict, opens 30 Nov 2026
5f76b5d verified | [ | |
| { | |
| "label": "posaconazole", | |
| "note": "아졸계 · 시험관 내 항T.cruzi 활성 확립", | |
| "note_en": "azole, established in vitro activity against T. cruzi", | |
| "admitted": true, | |
| "relegated": false, | |
| "relegate_reason": [], | |
| "tier": 1, | |
| "total": 36.144, | |
| "axes": { | |
| "activity": { | |
| "points": 3.417, | |
| "detail": { | |
| "pAct_q10": 5.675, | |
| "ramp_term": 0.342, | |
| "ramp": [ | |
| 4.9472, | |
| 7.0778 | |
| ], | |
| "threshold_term": null | |
| } | |
| }, | |
| "binding": { | |
| "points": 19.083, | |
| "detail": { | |
| "pIC50": 7.75, | |
| "LE": 0.208, | |
| "potency_term": 0.917, | |
| "efficiency_cap": 0.694, | |
| "heavy_halogens": 0, | |
| "affinity_raw": -1.75, | |
| "halogen_offset_log": 0.0 | |
| } | |
| }, | |
| "selectivity": { | |
| "points": 3.069, | |
| "detail": { | |
| "fold": 1.7, | |
| "selectivity_term": 0.112, | |
| "target_engagement": 0.917 | |
| } | |
| }, | |
| "admet": { | |
| "points": 3.269, | |
| "detail": { | |
| "geometric_mean": 0.343, | |
| "per_endpoint": { | |
| "solubility-aqsoldb": 0.219, | |
| "caco2-wang": 0.672, | |
| "hia-hou": 1.0, | |
| "bioavailability-ma": 1.0, | |
| "pgp-broccatelli": 0.05, | |
| "cyp2c9-veith": 0.444, | |
| "cyp3a4-substrate-carbonmangels": 0.05, | |
| "ld50-zhu": 0.968, | |
| "herg": 0.05, | |
| "dili": 0.093 | |
| } | |
| } | |
| }, | |
| "novelty": { | |
| "points": 5.898, | |
| "detail": { | |
| "max_tanimoto": 0.073, | |
| "novelty": 0.927 | |
| } | |
| }, | |
| "synthesis": { | |
| "points": 1.408, | |
| "detail": { | |
| "sa_score": 4.45 | |
| } | |
| } | |
| } | |
| }, | |
| { | |
| "label": "ketoconazole", | |
| "note": "아졸계 · 시험관 내 항T.cruzi 활성 확립", | |
| "note_en": "azole, established in vitro activity against T. cruzi", | |
| "admitted": true, | |
| "relegated": false, | |
| "relegate_reason": [], | |
| "tier": 1, | |
| "total": 34.226, | |
| "axes": { | |
| "activity": { | |
| "points": 4.43, | |
| "detail": { | |
| "pAct_q10": 5.891, | |
| "ramp_term": 0.443, | |
| "ramp": [ | |
| 4.9472, | |
| 7.0778 | |
| ], | |
| "threshold_term": null | |
| } | |
| }, | |
| "binding": { | |
| "points": 18.812, | |
| "detail": { | |
| "pIC50": 7.09, | |
| "LE": 0.27, | |
| "potency_term": 0.697, | |
| "efficiency_cap": 0.9, | |
| "heavy_halogens": 0, | |
| "affinity_raw": -1.091, | |
| "halogen_offset_log": 0.0 | |
| } | |
| }, | |
| "selectivity": { | |
| "points": 0.0, | |
| "detail": { | |
| "fold": 0.6, | |
| "selectivity_term": 0.0, | |
| "target_engagement": 0.697 | |
| } | |
| }, | |
| "admet": { | |
| "points": 2.744, | |
| "detail": { | |
| "geometric_mean": 0.292, | |
| "per_endpoint": { | |
| "solubility-aqsoldb": 0.47, | |
| "caco2-wang": 0.77, | |
| "hia-hou": 1.0, | |
| "bioavailability-ma": 1.0, | |
| "pgp-broccatelli": 0.05, | |
| "cyp2c9-veith": 0.05, | |
| "cyp3a4-substrate-carbonmangels": 0.05, | |
| "ld50-zhu": 0.48, | |
| "herg": 0.05, | |
| "dili": 0.05 | |
| } | |
| } | |
| }, | |
| "novelty": { | |
| "points": 5.944, | |
| "detail": { | |
| "max_tanimoto": 0.052, | |
| "novelty": 0.948 | |
| } | |
| }, | |
| "synthesis": { | |
| "points": 2.296, | |
| "detail": { | |
| "sa_score": 3.44 | |
| } | |
| } | |
| } | |
| }, | |
| { | |
| "label": "itraconazole", | |
| "note": "아졸계 · 시험관 내 항T.cruzi 활성 확립", | |
| "note_en": "azole, established in vitro activity against T. cruzi", | |
| "admitted": true, | |
| "relegated": false, | |
| "relegate_reason": [], | |
| "tier": 1, | |
| "total": 32.869, | |
| "axes": { | |
| "activity": { | |
| "points": 7.914, | |
| "detail": { | |
| "pAct_q10": 6.633, | |
| "ramp_term": 0.791, | |
| "ramp": [ | |
| 4.9472, | |
| 7.0778 | |
| ], | |
| "threshold_term": null | |
| } | |
| }, | |
| "binding": { | |
| "points": 12.788, | |
| "detail": { | |
| "pIC50": 6.97, | |
| "LE": 0.195, | |
| "potency_term": 0.656, | |
| "efficiency_cap": 0.649, | |
| "heavy_halogens": 0, | |
| "affinity_raw": -0.969, | |
| "halogen_offset_log": 0.0 | |
| } | |
| }, | |
| "selectivity": { | |
| "points": 0.0, | |
| "detail": { | |
| "fold": 0.4, | |
| "selectivity_term": 0.0, | |
| "target_engagement": 0.656 | |
| } | |
| }, | |
| "admet": { | |
| "points": 2.658, | |
| "detail": { | |
| "geometric_mean": 0.224, | |
| "per_endpoint": { | |
| "solubility-aqsoldb": 0.05, | |
| "caco2-wang": 0.683, | |
| "hia-hou": 1.0, | |
| "bioavailability-ma": 1.0, | |
| "pgp-broccatelli": 0.05, | |
| "cyp2c9-veith": 0.05, | |
| "cyp3a4-substrate-carbonmangels": 0.05, | |
| "ld50-zhu": 0.698, | |
| "herg": 0.05, | |
| "dili": 0.05 | |
| } | |
| } | |
| }, | |
| "novelty": { | |
| "points": 7.379, | |
| "detail": { | |
| "max_tanimoto": 0.068, | |
| "novelty": 0.932 | |
| } | |
| }, | |
| "synthesis": { | |
| "points": 2.131, | |
| "detail": { | |
| "sa_score": 4.12 | |
| } | |
| } | |
| } | |
| }, | |
| { | |
| "label": "fluconazole", | |
| "note": "아졸계이나 이 원충에는 약하다", | |
| "note_en": "an azole, but weak against this organism", | |
| "admitted": true, | |
| "relegated": false, | |
| "relegate_reason": [], | |
| "tier": 1, | |
| "total": 18.577, | |
| "axes": { | |
| "activity": { | |
| "points": 0.24, | |
| "detail": { | |
| "pAct_q10": 4.377, | |
| "ramp_term": 0.024, | |
| "ramp": [ | |
| 4.9472, | |
| 7.0778 | |
| ], | |
| "threshold_term": null | |
| } | |
| }, | |
| "binding": { | |
| "points": 9.415, | |
| "detail": { | |
| "pIC50": 5.94, | |
| "LE": 0.37, | |
| "potency_term": 0.314, | |
| "efficiency_cap": 1.0, | |
| "heavy_halogens": 0, | |
| "affinity_raw": 0.058, | |
| "halogen_offset_log": 0.0 | |
| } | |
| }, | |
| "selectivity": { | |
| "points": 1.572, | |
| "detail": { | |
| "fold": 2.2, | |
| "selectivity_term": 0.167, | |
| "target_engagement": 0.314 | |
| } | |
| }, | |
| "admet": { | |
| "points": 2.977, | |
| "detail": { | |
| "geometric_mean": 0.632, | |
| "per_endpoint": { | |
| "solubility-aqsoldb": 0.81, | |
| "caco2-wang": 0.784, | |
| "hia-hou": 1.0, | |
| "bioavailability-ma": 1.0, | |
| "pgp-broccatelli": 1.0, | |
| "cyp2c9-veith": 0.973, | |
| "cyp3a4-substrate-carbonmangels": 0.61, | |
| "ld50-zhu": 0.294, | |
| "herg": 1.0, | |
| "dili": 0.05 | |
| } | |
| } | |
| }, | |
| "novelty": { | |
| "points": 2.924, | |
| "detail": { | |
| "max_tanimoto": 0.068, | |
| "novelty": 0.932 | |
| } | |
| }, | |
| "synthesis": { | |
| "points": 1.448, | |
| "detail": { | |
| "sa_score": 2.77 | |
| } | |
| } | |
| } | |
| }, | |
| { | |
| "label": "benznidazole", | |
| "note": "현행 샤가스 치료제 · 다른 표적에 작용하는 니트로 전구약", | |
| "note_en": "current Chagas drug - a nitro prodrug acting on a different target", | |
| "admitted": true, | |
| "relegated": false, | |
| "relegate_reason": [], | |
| "tier": 1, | |
| "total": 2.402, | |
| "axes": { | |
| "activity": { | |
| "points": 0.047, | |
| "detail": { | |
| "pAct_q10": 3.721, | |
| "ramp_term": 0.005, | |
| "ramp": [ | |
| 4.9472, | |
| 7.0778 | |
| ], | |
| "threshold_term": null | |
| } | |
| }, | |
| "binding": { | |
| "points": 1.299, | |
| "detail": { | |
| "pIC50": 4.67, | |
| "LE": 0.336, | |
| "potency_term": 0.043, | |
| "efficiency_cap": 1.0, | |
| "heavy_halogens": 0, | |
| "affinity_raw": 1.335, | |
| "halogen_offset_log": 0.0 | |
| } | |
| }, | |
| "selectivity": { | |
| "points": 0.0, | |
| "detail": { | |
| "fold": 0.9, | |
| "selectivity_term": 0.0, | |
| "target_engagement": 0.0 | |
| } | |
| }, | |
| "admet": { | |
| "points": 0.427, | |
| "detail": { | |
| "geometric_mean": 0.657, | |
| "per_endpoint": { | |
| "solubility-aqsoldb": 0.864, | |
| "caco2-wang": 0.738, | |
| "hia-hou": 1.0, | |
| "bioavailability-ma": 1.0, | |
| "pgp-broccatelli": 1.0, | |
| "cyp2c9-veith": 1.0, | |
| "cyp3a4-substrate-carbonmangels": 1.0, | |
| "ld50-zhu": 0.3, | |
| "herg": 1.0, | |
| "dili": 0.05 | |
| } | |
| } | |
| }, | |
| "novelty": { | |
| "points": 0.413, | |
| "detail": { | |
| "max_tanimoto": 0.047, | |
| "novelty": 0.953 | |
| } | |
| }, | |
| "synthesis": { | |
| "points": 0.217, | |
| "detail": { | |
| "sa_score": 2.09 | |
| } | |
| } | |
| } | |
| }, | |
| { | |
| "label": "nifurtimox", | |
| "note": "현행 샤가스 치료제 · 다른 표적에 작용하는 니트로 전구약", | |
| "note_en": "current Chagas drug - a nitro prodrug acting on a different target", | |
| "admitted": true, | |
| "relegated": false, | |
| "relegate_reason": [], | |
| "tier": 1, | |
| "total": 2.024, | |
| "axes": { | |
| "activity": { | |
| "points": 0.06, | |
| "detail": { | |
| "pAct_q10": 3.821, | |
| "ramp_term": 0.006, | |
| "ramp": [ | |
| 4.9472, | |
| 7.0778 | |
| ], | |
| "threshold_term": null | |
| } | |
| }, | |
| "binding": { | |
| "points": 1.173, | |
| "detail": { | |
| "pIC50": 4.62, | |
| "LE": 0.333, | |
| "potency_term": 0.039, | |
| "efficiency_cap": 1.0, | |
| "heavy_halogens": 0, | |
| "affinity_raw": 1.376, | |
| "halogen_offset_log": 0.0 | |
| } | |
| }, | |
| "selectivity": { | |
| "points": 0.0, | |
| "detail": { | |
| "fold": 1.3, | |
| "selectivity_term": 0.065, | |
| "target_engagement": 0.0 | |
| } | |
| }, | |
| "admet": { | |
| "points": 0.292, | |
| "detail": { | |
| "geometric_mean": 0.497, | |
| "per_endpoint": { | |
| "solubility-aqsoldb": 0.877, | |
| "caco2-wang": 0.759, | |
| "hia-hou": 1.0, | |
| "bioavailability-ma": 1.0, | |
| "pgp-broccatelli": 1.0, | |
| "cyp2c9-veith": 1.0, | |
| "cyp3a4-substrate-carbonmangels": 0.504, | |
| "ld50-zhu": 0.05, | |
| "herg": 1.0, | |
| "dili": 0.05 | |
| } | |
| } | |
| }, | |
| "novelty": { | |
| "points": 0.366, | |
| "detail": { | |
| "max_tanimoto": 0.065, | |
| "novelty": 0.935 | |
| } | |
| }, | |
| "synthesis": { | |
| "points": 0.133, | |
| "detail": { | |
| "sa_score": 3.61 | |
| } | |
| } | |
| } | |
| }, | |
| { | |
| "label": "caffeine", | |
| "note": "샤가스병과 무관 (음성 대조)", | |
| "note_en": "nothing to do with Chagas disease (negative control)", | |
| "admitted": true, | |
| "relegated": false, | |
| "relegate_reason": [], | |
| "tier": 1, | |
| "total": 0.081, | |
| "axes": { | |
| "activity": { | |
| "points": 0.019, | |
| "detail": { | |
| "pAct_q10": 3.352, | |
| "ramp_term": 0.002, | |
| "ramp": [ | |
| 4.9472, | |
| 7.0778 | |
| ], | |
| "threshold_term": null | |
| } | |
| }, | |
| "binding": { | |
| "points": 0.021, | |
| "detail": { | |
| "pIC50": 3.03, | |
| "LE": 0.296, | |
| "potency_term": 0.001, | |
| "efficiency_cap": 0.988, | |
| "heavy_halogens": 0, | |
| "affinity_raw": 2.971, | |
| "halogen_offset_log": 0.0 | |
| } | |
| }, | |
| "selectivity": { | |
| "points": 0.0, | |
| "detail": { | |
| "fold": 0.8, | |
| "selectivity_term": 0.0, | |
| "target_engagement": 0.0 | |
| } | |
| }, | |
| "admet": { | |
| "points": 0.014, | |
| "detail": { | |
| "geometric_mean": 0.496, | |
| "per_endpoint": { | |
| "solubility-aqsoldb": 1.0, | |
| "caco2-wang": 1.0, | |
| "hia-hou": 1.0, | |
| "bioavailability-ma": 1.0, | |
| "pgp-broccatelli": 1.0, | |
| "cyp2c9-veith": 1.0, | |
| "cyp3a4-substrate-carbonmangels": 0.05, | |
| "ld50-zhu": 0.096, | |
| "herg": 0.1, | |
| "dili": 0.58 | |
| } | |
| } | |
| }, | |
| "novelty": { | |
| "points": 0.018, | |
| "detail": { | |
| "max_tanimoto": 0.052, | |
| "novelty": 0.948 | |
| } | |
| }, | |
| "synthesis": { | |
| "points": 0.009, | |
| "detail": { | |
| "sa_score": 2.3 | |
| } | |
| } | |
| } | |
| }, | |
| { | |
| "label": "aspirin", | |
| "note": "샤가스병과 무관 (음성 대조)", | |
| "note_en": "nothing to do with Chagas disease (negative control)", | |
| "admitted": true, | |
| "relegated": false, | |
| "relegate_reason": [], | |
| "tier": 1, | |
| "total": 0.05, | |
| "axes": { | |
| "activity": { | |
| "points": 0.007, | |
| "detail": { | |
| "pAct_q10": 2.969, | |
| "ramp_term": 0.001, | |
| "ramp": [ | |
| 4.9472, | |
| 7.0778 | |
| ], | |
| "threshold_term": null | |
| } | |
| }, | |
| "binding": { | |
| "points": 0.023, | |
| "detail": { | |
| "pIC50": 3.06, | |
| "LE": 0.322, | |
| "potency_term": 0.001, | |
| "efficiency_cap": 1.0, | |
| "heavy_halogens": 0, | |
| "affinity_raw": 2.943, | |
| "halogen_offset_log": 0.0 | |
| } | |
| }, | |
| "selectivity": { | |
| "points": 0.0, | |
| "detail": { | |
| "fold": 0.6, | |
| "selectivity_term": 0.0, | |
| "target_engagement": 0.0 | |
| } | |
| }, | |
| "admet": { | |
| "points": 0.009, | |
| "detail": { | |
| "geometric_mean": 0.751, | |
| "per_endpoint": { | |
| "solubility-aqsoldb": 1.0, | |
| "caco2-wang": 0.997, | |
| "hia-hou": 1.0, | |
| "bioavailability-ma": 1.0, | |
| "pgp-broccatelli": 1.0, | |
| "cyp2c9-veith": 1.0, | |
| "cyp3a4-substrate-carbonmangels": 1.0, | |
| "ld50-zhu": 0.117, | |
| "herg": 1.0, | |
| "dili": 1.0 | |
| } | |
| } | |
| }, | |
| "novelty": { | |
| "points": 0.007, | |
| "detail": { | |
| "max_tanimoto": 0.051, | |
| "novelty": 0.949 | |
| } | |
| }, | |
| "synthesis": { | |
| "points": 0.004, | |
| "detail": { | |
| "sa_score": 1.58 | |
| } | |
| } | |
| } | |
| } | |
| ] |