Compound,SMILES ,pKi_CCR2,pIC50_CCR5,%Inhibition_CCR5,
6,O=C1C(CC2=CC=CC(Cl)=C2)=C(C3CC3)NC4=NC=NN41,8.76 ± 0.01,-,60%,
7,O=C1C(CC2=CC=CC(Cl)=C2)=C(C3CC3)NC4=NC(C)=NN41,8.46 ± 0.05 ,-,35%,
8,O=C1C(CC2=CC=CC(Cl)=C2)=C(C3CC3)NC4=NC(N)=NN41,8.90 ± 0.04 ,6.24 ± 0.004,76%,
9,O=C1C(CC2=CC=CC=C2)=C(C3CC3)NC4=NC(N)=NN41,8.27 ± 0.10 ,-,35%,
10,O=C1C(CC2=CC=CC=C2C)=C(C3CC3)NC4=NC(N)=NN41,7.81 ± 0.05 ,-,28%,
11,O=C1C(CC2=CC=CC=C2Cl)=C(C3CC3)NC4=NC(N)=NN41,7.84 ± 0.03 ,-,27%,
12,O=C1C(CC2=CC=CC=C2OC)=C(C3CC3)NC4=NC(N)=NN41,6.98 ± 0.04 ,-,-20%,
13,O=C1C(CC2=CC=CC(C)=C2)=C(C3CC3)NC4=NC(N)=NN41,8.61 ± 0.03,-,62%,
14,O=C1C(CC2=CC=CC(F)=C2)=C(C3CC3)NC4=NC(N)=NN41,8.53 ± 0.18,-,43%,
15,O=C1C(CC2=CC=CC(Br)=C2)=C(C3CC3)NC4=NC(N)=NN41,9.08 ± 0.06,-,60%,
16,O=C1C(CC2=CC=CC(I)=C2)=C(C3CC3)NC4=NC(N)=NN41,9.06 ± 0.02,-,66%,
17,O=C1C(CC2=CC=CC(OC)=C2)=C(C3CC3)NC4=NC(N)=NN41,7.89 ± 0.07,-,-27%,
18,O=C1C(CC2=CC=CC(C(F)(F)F)=C2)=C(C3CC3)NC4=NC(N)=NN41,8.26 ± 0.09,-,36%,
19,O=C1C(CC2=CC=C(C)C=C2)=C(C3CC3)NC4=NC(N)=NN41,8.46 ± 0.03,-,-57%,
20,O=C1C(CC2=CC=C(F)C=C2)=C(C3CC3)NC4=NC(N)=NN41,8.39 ± 0.03,-,31%,
21,O=C1C(CC2=CC=C(Cl)C=C2)=C(C3CC3)NC4=NC(N)=NN41,8.74 ± 0.05,-,31%,
22,O=C1C(CC2=CC=C(Br)C=C2)=C(C3CC3)NC4=NC(N)=NN41,8.84 ± 0.02,-,14%,
23,O=C1C(CC2=CC=C(OC)C=C2)=C(C3CC3)NC4=NC(N)=NN41,7.68 ± 0.05,-,-28%,
24,O=C1C(CC2=CC=CC(Cl)=C2)=C(C)NC3=NC(N)=NN31,7.78 ± 0.07,-,-35%,
25,O=C1C(CC2=CC=CC(Cl)=C2)=C(CC)NC3=NC(N)=NN31,8.40 ± 0.07,-,29%,
26,O=C1C(CC2=CC=CC(Cl)=C2)=C(CCC)NC3=NC(N)=NN31,8.46 ± 0.07,-,64%,
27,O=C1C(CC2=CC=CC(Cl)=C2)=C(C(C)C)NC3=NC(N)=NN31,8.72 ± 0.05,6.56 ± 0.05,83%,
28,O=C1C(CC2=CC=CC(Cl)=C2)=C(CCCC)NC3=NC(N)=NN31,8.64 ± 0.03,6.29 ± 0.05,73%,
29,O=C1C(CC2=CC=CC(Cl)=C2)=C(CC(CC)CC)NC3=NC(N)=NN31,8.20 ± 0.04,-,29%,
30,O=C1C(CC2=CC=CC(Cl)=C2)=C(CCCCC)NC3=NC(N)=NN31,8.14 ± 0.03,-,38%,
31,O=C1C(CC2=CC=CC(Cl)=C2)=C(C3CCCC3)NC4=NC(N)=NN41,8.81 ± 0.04,6.43 ± 0.08,81%,
32,O=C1C(CC2=CC=CC(Cl)=C2)=C(CCCCCC)NC3=NC(N)=NN31,7.66 ± 0.02,-,-63%,
33,O=C1C(CC2=CC=CC(Cl)=C2)=C(CCCCCCC)NC3=NC(N)=NN31,6.76 ± 0.05,-,-265%,
34,O=C1C(CC2=CC=CC(Cl)=C2)=C(C3=CC=CC=C3)NC4=NC(N)=NN41,7.64 ± 0.17,-,-41%,
35,O=C1C(CC2=CC=CC(Cl)=C2)=C(C3=CC=C(C)C=C3)NC4=NC(N)=NN41,6.81 ± 0.07,-,-13%,
36,O=C1C(CC2=CC=CC(Cl)=C2)=C(CCC3=CC=CC=C3)NC4=NC(N)=NN41,7.29 ± 0.05,-,-42%,
37,O=C1C(CC2=CC=C(Cl)C(Cl)=C2)=C(C3CC3)NC4=NC(N)=NN41,9.35 ± 0.05,6.67 ± 0.03,93%,
38,O=C1C(CC2=CC=C(Cl)C(Cl)=C2)=C(C(C)C)NC3=NC(N)=NN31,9.22 ± 0.05,6.91 ± 0.09,80%,
39,O=C1C(CC2=CC=CC(Cl)=C2Cl)=C(C(C)C)NC3=NC(N)=NN31,8.81 ± 0.07,7.09 ± 0.07,85%,
40,O=C1C(CC2=CC(Cl)=CC=C2Cl)=C(C(C)C)NC3=NC(N)=NN31,7.65 ± 0.03,-,20%,
41,O=C1C(CC2=CC(Cl)=CC(Cl)=C2)=C(C(C)C)NC3=NC(N)=NN31,8.66 ± 0.05,6.49 ± 0.06,89%,
42,O=C1C(CC2=CC(Br)=CC(Br)=C2)=C(C(C)C)NC3=NC(N)=NN31,8.68 ± 0.01,-,64%,
43,O=C1C(CC2=CC=C(Cl)C(Br)=C2)=C(C(C)C)NC3=NC(N)=NN31,9.42 ± 0.02,6.95 ± 0.04,84%,