Compound Detail

CHEMBL4755253

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Nc1nccc2cc(CNC(=O)Cn3cnc(C(=O)NC4CCCCC4)n3)ccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4755253
Phase	Preclinical
Structure Type	MOL
InChI Key	KPJXSPFKPRKQKX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

407.5

MW (Da)

1.79

ALogP

HBA

HBD

127.8

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 1 meas. best 4.02

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein arginine N-methyltransferase 3 CHEMBL5891	IC50	4.02	4.02	94900.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein arginine N-methyltransferase 3	IC50	=	94900.0	nM	4.02	Inhibition of recombinant human PRMT8 using histone H4 as substrate by hotspot a...	31978781

PubMed	DOI	Target Context	# Activities
31978781	10.1016/j.ejmech.2019.112023	Protein arginine N-methyltransferase 3	2
31978781	10.1016/j.ejmech.2019.112023	Histone-lysine N-methyltransferase, H3 lysine-79 specific	1
31978781	10.1016/j.ejmech.2019.112023	DNA (cytosine-5)-methyltransferase 1	1
31978781	10.1016/j.ejmech.2019.112023	Histone-lysine N-methyltransferase EZH2	1
31978781	10.1016/j.ejmech.2019.112023	Histone-lysine N-methyltransferase EHMT2	1
31978781	10.1016/j.ejmech.2019.112023	Histone-lysine N-methyltransferase SETD7	1
31978781	10.1016/j.ejmech.2019.112023	Protein arginine N-methyltransferase 5	1
31978781	10.1016/j.ejmech.2019.112023	Protein arginine N-methyltransferase 7	1

Data from ChEMBL 36 via Core Engine