Compound Detail

CHEMBL3589037

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CNCCN(C)Cc1cn[nH]c1-c1cc(OCCC2CCCCC2)cc(C(F)(F)F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3589037
Phase	Preclinical
Structure Type	MOL
InChI Key	GJDVMSRIXJKBKJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

438.5

MW (Da)

5.10

ALogP

HBA

HBD

53.2

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein arginine N-methyltransferase 1 CHEMBL5524	IC50	7.85	7.85	14.0	1
Protein arginine N-methyltransferase 8 CHEMBL3108648	IC50	7.68	7.68	21.0	1
Protein arginine N-methyltransferase 6 CHEMBL1275221	IC50	6.34	6.34	461.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein arginine N-methyltransferase 1	IC50	=	14.0	nM	7.85	Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high fi...	26101569
Protein arginine N-methyltransferase 8	IC50	=	21.0	nM	7.68	Inhibition of N-terminal GST tagged full-length human PRMT8 expressed in Escheri...	26101569
Protein arginine N-methyltransferase 6	IC50	=	461.0	nM	6.34	Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed i...	26101569

PubMed	DOI	Target Context	# Activities
26101569	10.1021/acsmedchemlett.5b00071	Protein arginine N-methyltransferase 1	1
26101569	10.1021/acsmedchemlett.5b00071	Protein arginine N-methyltransferase 8	1
26101569	10.1021/acsmedchemlett.5b00071	Protein arginine N-methyltransferase 6	1

Data from ChEMBL 36 via Core Engine