Compound,SMILES,IC50 (nM) human P2Y14 receptor
1,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C=C4)C5CCNCC5)=C1)=O,7.96
2a,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C=C4)C5(CC6)CCN6CC5)=C1)=O,20
2b,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C=C4)[C@@H]5[C@@H]6C[C@H](C5)NC6)=C1)=O,3.11
5,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C=C4)C5CNC5)=C1)=O,65.9
6,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C(C5)CC65CNC6)C=C4)=C1)=O,46.6
7,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C(C5)=CC65CNC6)C=C4)=C1)=O,9.69
8,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C(C5)(O)CC65CNC6)C=C4)=C1)=O,20.8
9,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C(C5)(OC)CC65CNC6)C=C4)=C1)=O,46.5
10,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C=C4)C5CNCC5)=C1)=O,31.5
11,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C(C=C4)=CC=C4C(C5)(O)C[C@]6([H])[C@]5([H])CNC6)=C1)=O,9.48
12,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C(C=C4)=CC=C4C(C5)=C[C@]6([H])[C@]5([H])CNC6)=C1)=O,16.6
13,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C(C=C4)=CC=C4C(C5)C[C@]6([H])[C@]5([H])CNC6)=C1)=O,32
14,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C(C=C4)=CC=C4[C@H]5[C@@H]6CNC[C@H]5C6)=C1)=O,524
15,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C(C=C4)=CC=C4[C@@]5(O)[C@@H]6CNC[C@H]5C6)=C1)=O,5.92
16,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C5CCNCCC5)C=C4)=C1)=O,9.58
17,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C5=CCCNCC5)C=C4)=C1)=O,11.9
18,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C5CCCNCCC5)C=C4)=C1)=O,18.5
19,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(/C5=C/CCNCCC5)C=C4)=C1)=O,58.4
20,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C5(O)CCCNCCC5)C=C4)=C1)=O,1780
49,O=C(OCC(N(C)C)=O)C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C(C=C4)=CC=C4[C@@]5(O)[C@@H]6CNC[C@H]5C6)=C1,4810
50,O=C(OCC(N(C)C)=O)C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C(C=C4)=CC=C4[C@@]5(O)[C@@H]6CN(C(OCC)=O)C[C@H]5C6)=C1,-
51,OC(C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C(C=C4)=CC=C4[C@@]5(O)[C@@H]6CN(C(OCC)=O)C[C@H]5C6)=C1)=O,81.6
53,O=C(NCCCCCCN1N=NC(CCCCN(CC2)CCC2C(C=C3)=CC=C3C4=CC(C(O)=O)=CC5=CC(C6=CC=C(C(F)(F)F)C=C6)=CC=C54)=C1)C7=CC=C(C([O-])=O)C(C(C(C=CC(N8CCC8)=C9)=C9[Si]%10(C)C)=C(C=C/%11)C%10=CC%11=[N+]%12CCC/%12)=C7,"25,900"
54,C#CCCCCN(CC1)CCC1C(C=C2)=CC=C2C3=CC(C(O)=O)=CC4=CC(C5=CC=C(C(F)(F)F)C=C5)=CC=C43,-
57,O=C(O)C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C5CCN(CCCCC6=CN(CCCCCCNC(OC(C)(C)C)=O)N=N6)CC5)C=C4)=C1,424
58,NCCCCCCN1N=NC(CCCCN(CC2)CCC2C(C=C3)=CC=C3C4=CC(C(O)=O)=CC5=CC(C6=CC=C(C(F)(F)F)C=C6)=CC=C54)=C1,67.4
62,O=C(OCC(N(C)C)=O)C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C=C4)C5CCN(C(OCC)=O)CC5)=C1,-
63,O=C(OCC(N(C)C)=O)C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C=C4)[C@@H]5[C@@H]6C[C@H](C5)NC6)=C1,-
64,O=C(OCC(N(C)C)=O)C1=CC2=CC(C3=CC=C(C(F)(F)F)C=C3)=CC=C2C(C4=CC=C(C=C4)[C@@H]5[C@@H]6C[C@H](C5)N(C(OCC)=O)C6)=C1,-