Compound Detail

CHEMBL313316

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NC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL313316
Phase	Preclinical
Structure Type	MOL
InChI Key	ANUWWIQYOYPMTQ-VIZOYTHASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

263.7

MW (Da)

2.60

ALogP

HBA

HBD

80.6

PSA (Å²)

0.66

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.24

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein arginine N-methyltransferase 5 CHEMBL1795116	IC50	6.24	6.24	570.0	3
PRMT5/MEP50 complex CHEMBL3137261	IC50	6.24	6.24	570.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
PRMT5/MEP50 complex	IC50	=	570.0	nM	6.24	Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)...	29628326
Protein arginine N-methyltransferase 5	IC50	=	570.0	nM	6.24	Inhibition of N-terminal FLAG-tagged human PRMT5 using histone H4 substrate incu...	29870258
Protein arginine N-methyltransferase 5	IC50	=	570.0	nM	6.24	Inhibition of PRMT5 (unknown origin)	30366617
Protein arginine N-methyltransferase 5	IC50	=	570.0	nM	6.24	Inhibition of recombinant human PRMT5 (2 to 637 residues) incubated for 60 mins	38359536

PubMed	DOI	Target Context	# Activities
12061873	10.1021/jm010459j	Cruzipain	1
29628326	10.1016/j.bmcl.2018.03.087	PRMT5/MEP50 complex	1
29870258	10.1021/acs.jmedchem.8b00598	Protein arginine N-methyltransferase 5	1
30366617	10.1016/j.bmcl.2018.10.026	Protein arginine N-methyltransferase 5	1
38359536	10.1016/j.ejmech.2024.116212	Protein arginine N-methyltransferase 5	1

Data from ChEMBL 36 via Core Engine