Compound Detail

CHEMBL3589035

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CC(C)Oc1c(Cl)cc(-c2c[nH]nc2CN(C)CCN)cc1C(F)(F)F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3589035
Phase	Preclinical
Structure Type	MOL
InChI Key	YOCSLRCPVKLWMS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

390.8

MW (Da)

3.93

ALogP

HBA

HBD

67.2

PSA (Å²)

0.75

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.37

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein arginine N-methyltransferase 1 CHEMBL5524	IC50	7.37	7.37	43.0	1
Protein arginine N-methyltransferase 8 CHEMBL3108648	IC50	7.16	7.16	70.0	1
Protein arginine N-methyltransferase 6 CHEMBL1275221	IC50	6.5	6.5	320.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein arginine N-methyltransferase 1	IC50	=	43.0	nM	7.37	Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high fi...	26101569
Protein arginine N-methyltransferase 8	IC50	=	70.0	nM	7.16	Inhibition of N-terminal GST tagged full-length human PRMT8 expressed in Escheri...	26101569
Protein arginine N-methyltransferase 6	IC50	=	320.0	nM	6.5	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