Table 3.

Methyltransferase inhibition data and molecular docking scores for 13 – 18 with varying western arene (R¹) and azetidine subsituent (R²).

Compound	R1	R2	NpmA Glide XP (kcal/mol)	%Inhibition (1 mM, NpmA)	RmtB Glide XP (kcal/mol)	%Inhibition (1 mM, RmtB)
13	CN	Me	−5.0	16 ± 6	−6.4	NI
14	C(O)NH2	Me	−4.9	16 ± 4	−5.5	NI
15	C(O)NH2	H	−8.7	46 ± 5	−5.7	52 ± 10
16	C(O)NH2	Boc	−8.2	32 ± 13	−7.8	NI
17	CN	H	−5.5	NI	−6.1	NI
18	C(O)Me	H	−9.7	7 ± 1	−6.0	NI

NI = no inhibition.