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Assay Detail

CHEMBL3364615

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

ADMET
Inhibition of CYP2C19 (unknown origin) using MFC substrate after 30 mins by fluorescence assay
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Cytochrome P450 2C19 (CHEMBL3622)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

The discovery of Polo-like kinase 4 inhibitors: design and optimization of spiro[cyclopropane-1,3'[3H]indol]-2'(1'H).ones as orally bioavailable antitumor agents.
Sampson PB, Liu Y, Patel NK, Feher M, Forrest B, Li SW, Edwards L, Laufer R, Lang Y, Ban F, Awrey DE, Mao G, Plotnikova O, Leung G, Hodgson R, Mason JM, Wei X, Kiarash R, Green E, Qiu W, Chirgadze NY, Mak TW, Pan G, Pauls HW.
J Med Chem (2015) 58 : 130 -146
PubMed 24867403 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 16 6.14 6.96

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3353342 1 6.96
CHEMBL2407749 1 6.89
CHEMBL3353337 1 6.68
CHEMBL3353340 1 6.58
CHEMBL3353346 1 6.22
CHEMBL3353348 1 6.12
CHEMBL2407900 1 6.10
CHEMBL3353356 1 6.00
CHEMBL2407897 1 6.00
CHEMBL3353341 1 5.80
CHEMBL3353354 1 5.75
CHEMBL3353355 1 5.68
CHEMBL3353338 1 5.00
CHEMBL3353359 1 -
CHEMBL3353339 1 -
CHEMBL3353347 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3353342 IC50 = 110.0 nM 6.96
CHEMBL2407749 IC50 = 130.0 nM 6.89
CHEMBL3353337 IC50 = 210.0 nM 6.68
CHEMBL3353340 IC50 = 260.0 nM 6.58
CHEMBL3353346 IC50 = 600.0 nM 6.22
CHEMBL3353348 IC50 = 750.0 nM 6.12
CHEMBL2407900 IC50 = 800.0 nM 6.10
CHEMBL3353356 IC50 = 1000.0 nM 6.00
CHEMBL2407897 IC50 = 1000.0 nM 6.00
CHEMBL3353341 IC50 = 1600.0 nM 5.80
CHEMBL3353354 IC50 = 1800.0 nM 5.75
CHEMBL3353355 IC50 = 2100.0 nM 5.68
CHEMBL3353338 IC50 = 10000.0 nM 5.00
CHEMBL3353359 IC50 > 1000.0 nM -
CHEMBL3353339 IC50 - -
CHEMBL3353347 IC50 > 1000.0 nM -