,,Inhibition of PI5P4K (a) ,,,,Target engagement (b),Physicochemical properties,
Compound,SMILES,PI5P4Ka pIC50 ,PI5P4Kb pIC50,PI5P4Kc+ pIC50,PI5P4Kc+ LE,PI5P4Kc WT pIC50,MW,clogP
22,CC(C)c1ccccc1-c1nc(c2ccccc2n1)NCc1ccccn1,<4.3,<4.6,6.5,0.34,6.2,354,5.9
32,CC(C)c1ccccc1-c1nc(c2cc(ccc2n1)Br)NCc1ccccn1,<4.3,ND,6.7,0.33,ND,433,6.6
33,CC(C)c1ccccc1-c1nc(c2cc(ccc2n1)N)NCc1ccccn1,<4.3,ND,6.5,0.32,ND,369,5.1
34,CC(C)c1ccccc1-c1ncc(c(n1)NCc1ccccn1)C,<4.7,<4.6,5.4,0.31,5.4,318,5
35,Cc1cnc(nc1NCc1ccccn1)-c1ccccc1C(F)(F)F,<4.3,<4.6,5,0.28,ND,344,4.6
36,CC(C)c1ccccc1-c1nc(c2ncccc2n1)NCc1ccccn1,<4.3,<4.6,5.6,0.29,5.5,355,5
37,CC(C)c1ccccc1-c1nc(c2cccnc2n1)NCc1ccccn1,<4.3,<4.6,6.6,0.34,6.1,355,5
38,FC(F)(F)c1ccccc1-c1nc(c2cccnc2n1)NCc1ccccn1,<4.3,<4.6,6.1,0.3,6.2,381,4.7
39,CC(C)c1ccccc1-c1nc(c2ccn(c2n1)C)NCc1ccccn1,<4.3,ND,<4.3,0.22,ND,357,5.2
40,CC(C)c1ccccc1-c1nc(c2n(ccc2n1)C)NCc1ccccn1,<4.3,<4.6,6.2,0.32,6.1,357,5.2
41,CC(C)c1ccccc1-c1nc(c2n(ccc2n1)CC1CC1)NCc1ccccn1,<4.3,ND,6.5,0.31,ND,398,6
42,CC(C)c1ccccc1-c1nc(c2[nH]ccc2n1)NCc1ccccn1,<4.3,<4.6,5.6,0.3,5.7,343,5
,,,,,,,,
(a) determined by ADP-Glo; (b) determined by INCell Pulse in intact cells,,,,,,,,