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Assay Detail

CHEMBL4606264

Review assay metadata, readout intent, target linkage, and publication context from the same page.

ADMET
Cytotoxicity against human HepG2 cells assessed as reduction in cell viability measured after 48 hrs by MTT assay
72
Total Activities
72
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Cell Type HepG2
Confidence 1 — Organism
Curated By Autocuration

Target

HepG2 (CHEMBL395)
Type CELL-LINE
Organism Homo sapiens

Publication

Lead Optimization of Second-Generation Acridones as Broad-Spectrum Antimalarials.
Kancharla P, Dodean RA, Li Y, Pou S, Pybus B, Melendez V, Read L, Bane CE, Vesely B, Kreishman-Deitrick M, Black C, Li Q, Sciotti RJ, Olmeda R, Luong TL, Gaona H, Potter B, Sousa J, Marcsisin S, Caridha D, Xie L, Vuong C, Zeng Q, Zhang J, Zhang P, Lin H, Butler K, Roncal N, Gaynor-Ohnstad L, Leed SE, Nolan C, Ceja FG, Rasmussen SA, Tumwebaze PK, Rosenthal PJ, Mu J, Bayles BR, Cooper RA, Reynolds KA, Smilkstein MJ, Riscoe MK, Kelly JX.
J Med Chem (2020) 63 : 6179 -6202
PubMed 32390431 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 72 5.11 6.71

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4643264 1 6.71
CHEMBL4641129 1 6.26
CHEMBL4640206 1 6.12
CHEMBL4639615 1 6.11
CHEMBL4646969 1 6.10
CHEMBL4640162 1 5.52
CHEMBL4642651 1 5.52
CHEMBL4634684 1 5.24
CHEMBL4642934 1 5.03
CHEMBL4642666 1 4.98
CHEMBL4637212 1 4.96
CHEMBL4646921 1 4.83
CHEMBL4644159 1 4.81
CHEMBL4649093 1 4.73
CHEMBL4635811 1 4.65
CHEMBL4649720 1 4.65
CHEMBL1450 ATOVAQUONE 4.0 1 4.63
CHEMBL4642508 1 4.59
CHEMBL4643150 1 4.59
CHEMBL4646227 1 4.56
CHEMBL4639326 1 4.55
CHEMBL4637990 1 4.51
CHEMBL4639323 1 4.50
CHEMBL76 CHLOROQUINE 4.0 1 4.42
CHEMBL4632610 1 -
CHEMBL4648678 1 -
CHEMBL4637000 1 -
CHEMBL4640747 1 -
CHEMBL4644390 1 -
CHEMBL4641165 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4643264 IC50 = 196.0 nM 6.71
CHEMBL4641129 IC50 = 548.0 nM 6.26
CHEMBL4640206 IC50 = 755.0 nM 6.12
CHEMBL4639615 IC50 = 772.0 nM 6.11
CHEMBL4646969 IC50 = 798.0 nM 6.10
CHEMBL4640162 IC50 = 3010.0 nM 5.52
CHEMBL4642651 IC50 = 3036.0 nM 5.52
CHEMBL4634684 IC50 = 5779.0 nM 5.24
CHEMBL4642934 IC50 = 9432.0 nM 5.03
CHEMBL4642666 IC50 = 10365.0 nM 4.98
CHEMBL4637212 IC50 = 10992.0 nM 4.96
CHEMBL4646921 IC50 = 14838.0 nM 4.83
CHEMBL4644159 IC50 = 15617.0 nM 4.81
CHEMBL4649093 IC50 = 18673.0 nM 4.73
CHEMBL4649720 IC50 = 22462.0 nM 4.65
CHEMBL4635811 IC50 = 22223.0 nM 4.65
CHEMBL1450 ATOVAQUONE IC50 = 23160.0 nM 4.63
CHEMBL4643150 IC50 = 25614.0 nM 4.59
CHEMBL4642508 IC50 = 25903.0 nM 4.59
CHEMBL4646227 IC50 = 27266.0 nM 4.56
CHEMBL4639326 IC50 = 27908.0 nM 4.55
CHEMBL4637990 IC50 = 30722.0 nM 4.51
CHEMBL4639323 IC50 = 31972.0 nM 4.50
CHEMBL76 CHLOROQUINE IC50 = 37577.0 nM 4.42
CHEMBL4642414 IC50 > 24672.0 nM -
CHEMBL4635459 IC50 > 34418.0 nM -
CHEMBL4638979 IC50 > 24672.0 nM -
CHEMBL4643592 IC50 > 24711.0 nM -
CHEMBL4636890 IC50 > 22232.0 nM -
CHEMBL4632695 IC50 > 23052.0 nM -
CHEMBL4640720 IC50 > 100000.0 nM -
CHEMBL4647566 IC50 > 100000.0 nM -
CHEMBL4649202 IC50 > 23735.0 nM -
CHEMBL4634780 IC50 > 24672.0 nM -
CHEMBL4643282 IC50 > 26898.0 nM -
CHEMBL4634377 IC50 > 34767.0 nM -
CHEMBL4648872 IC50 > 34418.0 nM -
CHEMBL4641685 IC50 > 23735.0 nM -
CHEMBL4640006 IC50 > 36216.0 nM -
CHEMBL4645747 IC50 > 29644.0 nM -
CHEMBL4638115 IC50 > 34846.0 nM -
CHEMBL4632642 IC50 > 34846.0 nM -
CHEMBL4632816 IC50 > 23735.0 nM -
CHEMBL4635723 IC50 > 34495.0 nM -
CHEMBL4641165 IC50 > 34495.0 nM -
CHEMBL4644390 IC50 > 36216.0 nM -
CHEMBL4640747 IC50 > 37289.0 nM -
CHEMBL4637000 IC50 > 37289.0 nM -
CHEMBL4648678 IC50 > 100000.0 nM -
CHEMBL4632610 IC50 > 36216.0 nM -