Assay Detail

CHEMBL5160114

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ADMET

Inhibition of CYP2C19 (unknown origin)

ChEMBL ↗

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Target

Cytochrome P450 2C19 (CHEMBL3622) ↗

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Cytochrome P450 2C19 (CHEMBL3622) is the working anchor for this assay review. Loading the live Open DB target snapshot…

Primary target Cytochrome P450 2C19

CHEMBL3622

Anchored from Assay target.

Protein identity Cytochrome P450 2C19

Disease frame Disease evidence pending

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Review focus Open DB context pending

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Total Activities

Compounds Tested

Activity Types

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

Discovery and Preclinical Pharmacology of INE963, a Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cures in Uncomplicated Malaria.

Taft BR, Yokokawa F, Kirrane T, Mata AC, Huang R, Blaquiere N, Waldron G, Zou B, Simon O, Vankadara S, Chan WL, Ding M, Sim S, Straimer J, Guiguemde A, Lakshminarayana SB, Jain JP, Bodenreider C, Thompson C, Lanshoeft C, Shu W, Fang E, Qumber J, Chan K, Pei L, Chen YL, Schulz H, Lim J, Abas SN, Ang X, Liu Y, Angulo-Barturen I, Jiménez-Díaz MB, Gamo FJ, Crespo-Fernandez B, Rosenthal PJ, Cooper RA, Tumwebaze P, Aguiar ACC, Campo B, Campbell S, Wagner J, Diagana TT, Sarko C.
J Med Chem (2022) 65 : 3798 -3813
PubMed 35229610 · DOI

Activity Statistics

Type	Count	Avg pChEMBL	Best pChEMBL
IC50	1	5.27	5.27

Compounds Tested

Compound	Name	Phase	Activities	Best pChEMBL
CHEMBL5173264	INE-963	2.0	1	5.27

Activity Data

Compound	Name	Type	Rel.	Value	Units	pChEMBL
CHEMBL5173264	INE-963	IC50	=	5400.0	nM	5.27