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Assay Detail

CHEMBL4041419

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

ADMET
Antiproliferative activity against human A549 cells harboring KRAS-G12S mutant incubated for 96 hrs measured on day 5 by CellTiterGlo assay
15
Total Activities
15
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Cell Type A549
Confidence 1 — Organism
Curated By Autocuration

Target

A549 (CHEMBL392)
Type CELL-LINE
Organism Homo sapiens

Publication

Structure-Guided Development of Covalent and Mutant-Selective Pyrazolopyrimidines to Target T790M Drug Resistance in Epidermal Growth Factor Receptor.
Engel J, Smith S, Lategahn J, Tumbrink HL, Goebel L, Becker C, Hennes E, Keul M, Unger A, Müller H, Baumann M, Schultz-Fademrecht C, Günther G, Hengstler JG, Rauh D.
J Med Chem (2017) 60 : 7725 -7744
PubMed 28853575 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 15 4.92 5.83

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1173655 AFATINIB 4.0 1 5.83
CHEMBL3353410 OSIMERTINIB 4.0 1 5.74
CHEMBL4103201 1 5.46
CHEMBL1229592 1 5.40
CHEMBL4090601 1 4.94
CHEMBL939 GEFITINIB 4.0 1 4.73
CHEMBL4072299 1 4.70
CHEMBL4069586 1 4.70
CHEMBL4099713 1 4.66
CHEMBL2180204 1 4.65
CHEMBL4091966 1 4.63
CHEMBL4094959 1 4.63
CHEMBL4082783 1 4.57
CHEMBL4062509 1 4.56
CHEMBL4071151 1 4.55

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1173655 AFATINIB EC50 = 1490.0 nM 5.83
CHEMBL3353410 OSIMERTINIB EC50 = 1830.0 nM 5.74
CHEMBL4103201 EC50 = 3450.0 nM 5.46
CHEMBL1229592 EC50 = 3990.0 nM 5.40
CHEMBL4090601 EC50 = 11600.0 nM 4.94
CHEMBL939 GEFITINIB EC50 = 18700.0 nM 4.73
CHEMBL4072299 EC50 = 20000.0 nM 4.70
CHEMBL4069586 EC50 = 19900.0 nM 4.70
CHEMBL4099713 EC50 = 21700.0 nM 4.66
CHEMBL2180204 EC50 = 22200.0 nM 4.65
CHEMBL4091966 EC50 = 23400.0 nM 4.63
CHEMBL4094959 EC50 = 23300.0 nM 4.63
CHEMBL4082783 EC50 = 27100.0 nM 4.57
CHEMBL4062509 EC50 = 27600.0 nM 4.56
CHEMBL4071151 EC50 = 28300.0 nM 4.55