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Assay Detail

CHEMBL3790960

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

ADMET
Inhibition of EGF-stimulated wild type EGFR autophosphorylation expressed in human A549 cells by sandwich ELISA
19
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Cell Type A549
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Epidermal growth factor receptor (CHEMBL203)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
Cheng H, Nair SK, Murray BW, Almaden C, Bailey S, Baxi S, Behenna D, Cho-Schultz S, Dalvie D, Dinh DM, Edwards MP, Feng JL, Ferre RA, Gajiwala KS, Hemkens MD, Jackson-Fisher A, Jalaie M, Johnson TO, Kania RS, Kephart S, Lafontaine J, Lunney B, Liu KK, Liu Z, Matthews J, Nagata A, Niessen S, Ornelas MA, Orr ST, Pairish M, Planken S, Ren S, Richter D, Ryan K, Sach N, Shen H, Smeal T, Solowiej J, Sutton S, Tran K, Tseng E, Vernier W, Walls M, Wang S, Weinrich SL, Xin S, Xu H, Yin MJ, Zientek M, Zhou R, Kath JC.
J Med Chem (2016) 59 : 2005 -2024
PubMed 26756222 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 19 6.86 9.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3787662 1 9.10
CHEMBL3786962 1 8.80
CHEMBL31965 CANERTINIB 3.0 1 8.22
CHEMBL3786453 1 8.12
CHEMBL553 ERLOTINIB 4.0 1 7.96
CHEMBL3787386 1 7.82
CHEMBL3353410 OSIMERTINIB 4.0 1 6.82
CHEMBL3545308 ROCILETINIB 3.0 1 5.80
CHEMBL3786802 1 5.46
CHEMBL3787220 1 5.38
CHEMBL3786812 1 5.38
CHEMBL3786098 PF-06459988 2.0 1 5.29
CHEMBL3786523 1 5.04
CHEMBL3786220 1 -
CHEMBL3786647 1 -
CHEMBL3787132 1 -
CHEMBL3786858 1 -
CHEMBL3785393 1 -
CHEMBL3787327 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3787662 IC50 = 0.79 nM 9.10
CHEMBL3786962 IC50 = 1.6 nM 8.80
CHEMBL31965 CANERTINIB IC50 = 6.0 nM 8.22
CHEMBL3786453 IC50 = 7.6 nM 8.12
CHEMBL553 ERLOTINIB IC50 = 11.0 nM 7.96
CHEMBL3787386 IC50 = 15.0 nM 7.82
CHEMBL3353410 OSIMERTINIB IC50 = 150.0 nM 6.82
CHEMBL3545308 ROCILETINIB IC50 = 1600.0 nM 5.80
CHEMBL3786802 IC50 = 3500.0 nM 5.46
CHEMBL3787220 IC50 = 4200.0 nM 5.38
CHEMBL3786812 IC50 = 4200.0 nM 5.38
CHEMBL3786098 PF-06459988 IC50 = 5100.0 nM 5.29
CHEMBL3786523 IC50 = 9100.0 nM 5.04
CHEMBL3786220 IC50 > 10000.0 nM -
CHEMBL3786647 IC50 > 10000.0 nM -
CHEMBL3787132 IC50 > 10000.0 nM -
CHEMBL3786858 IC50 > 3300.0 nM -
CHEMBL3785393 IC50 > 5000.0 nM -
CHEMBL3787327 IC50 - -