Compound Detail

CHEMBL4281254

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Cn1cnc(-c2cc(-c3c[nH]nn3)ccn2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4281254
Phase	Preclinical
Structure Type	MOL
InChI Key	JMBGPAGLZBKRJX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

226.2

MW (Da)

1.27

ALogP

HBA

HBD

72.3

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 7.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Histone lysine demethylase PHF8 CHEMBL1938212	IC50	7.0	6.63	100.0	2
Lysine-specific demethylase 2B CHEMBL3779760	IC50	7.0	6.51	100.0	4
Unchecked CHEMBL612545	IC50	6.52	6.39	300.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Lysine-specific demethylase 2B	IC50	=	100.0	nM	7.0	Inhibition of recombinant human C-terminal FLAG-tagged FBXL10 (1 to 650 residues...	-
Histone lysine demethylase PHF8	IC50	=	100.0	nM	7.0	Inhibition of recombinant human N-terminal FLAG-tagged PHF8 expressed in baculov...	-
Lysine-specific demethylase 2B	IC50	=	300.0	nM	6.52	FBXL10 Assay: The ability of test compounds to inhibit the activity of FBXL10 wa...	-
Unchecked	IC50	=	300.0	nM	6.52	PHF8 Assay: PHF8 Assay: The ability of test compounds to inhibit the activity of...	-
Lysine-specific demethylase 2B	IC50	=	550.0	nM	6.26	FBXL10 Assay: The ability of test compounds to inhibit the activity of FBXL10 wa...	-
Unchecked	IC50	=	550.0	nM	6.26	PHF8 Assay: The ability of test compounds to inhibit the activity of PHF8 was de...	-
Lysine-specific demethylase 2B	IC50	=	550.0	nM	6.26	FBXL10 Assay: The ability of test compounds to inhibit the activity of FBXL10 wa...	-
Histone lysine demethylase PHF8	IC50	=	550.0	nM	6.26	PHF8 Assay: The ability of test compounds to inhibit the activity of PHF8 was de...	-

Data from ChEMBL 36 via Core Engine