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Assay Detail

CHEMBL3089007

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

ADMET
Growth inhibition of Chinese hamster MTXRII-OuaR2-4 cells after 96 hrs by CellTiter-blue assay
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Cricetulus griseus
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

ADMET (CHEMBL612558)
Type ADMET

Publication

Tumor-targeting with novel non-benzoyl 6-substituted straight chain pyrrolo[2,3-d]pyrimidine antifolates via cellular uptake by folate receptor α and inhibition of de novo purine nucleotide biosynthesis.
Wang Y, Cherian C, Orr S, Mitchell-Ryan S, Hou Z, Raghavan S, Matherly LH, Gangjee A.
J Med Chem (2013) 56 : 8684 -8695
PubMed 24111942 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 13 6.27 6.67

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL34259 METHOTREXATE 4.0 1 6.67
CHEMBL1201746 PRALATREXATE 4.0 1 6.09
CHEMBL225072 PEMETREXED 4.0 1 6.05
CHEMBL225071 RALTITREXED 4.0 1 -
CHEMBL34412 LOMETREXOL 2.0 1 -
CHEMBL3086867 1 -
CHEMBL3086866 1 -
CHEMBL3086865 1 -
CHEMBL3086864 1 -
CHEMBL3086863 1 -
CHEMBL3086673 1 -
CHEMBL3086868 1 -
CHEMBL3086869 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL34259 METHOTREXATE IC50 = 216.0 nM 6.67
CHEMBL1201746 PRALATREXATE IC50 = 819.0 nM 6.09
CHEMBL225072 PEMETREXED IC50 = 894.0 nM 6.05
CHEMBL225071 RALTITREXED IC50 > 1000.0 nM -
CHEMBL34412 LOMETREXOL IC50 > 1000.0 nM -
CHEMBL3086867 IC50 > 1000.0 nM -
CHEMBL3086866 IC50 > 1000.0 nM -
CHEMBL3086865 IC50 > 1000.0 nM -
CHEMBL3086864 IC50 > 1000.0 nM -
CHEMBL3086863 IC50 > 1000.0 nM -
CHEMBL3086673 IC50 > 1000.0 nM -
CHEMBL3086868 IC50 > 1000.0 nM -
CHEMBL3086869 IC50 > 1000.0 nM -