TABLE 2.

Compounds mapped to ENT1 inhibitor pharmacophore with corresponding fit and estimated IC₅₀ values, and literature reported IC₅₀ values

Compound	Fit Value	Estimate IC50	Reported IC50
		µM	µM
Dilazep	5.69199	2.01238	0.009 (Vlachodimou et al., 2020) 0.330 0.0012 (Rehan et al., 2015)
Rabacfosadine	5.13737	7.21657	N/A
Darunavir	4.50727	30.7916	85.98 (Miller et al., 2021)
GS-6620	3.83753	143.936	12.7 (Miller et al., 2021)
GS-9667	2.37685	4157.69	4.3 (Miller et al., 2021)

N/A, not available.