Compounda | 5-HT1A | 5-HT2A | 5-HT2C | 5-HT3 | 5-HT6 | 5-HT7 | D2 | D3 | D4 | α1 | α2 | Targetb | H1 | M1 | M2 | M3 | Antitargetc | dORd | WG | Diabetes (3 Levels) | WG | YS2 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
kg | ||||||||||||||||||||||
1 | 5.60 | 5.51 | 5.00 | 6.00 | 5.52 | 7.20 | 7.70 | 5.62 | 5.59 | 6.21 | 6,00 | 4.20 | 3.55 | 3.35 | 5.00 | 4.03 | 1.52 | −0.73 | 1 | 1 | −1.89 | |
2 | 5.00 | 5.32 | 5.00 | 4.60 | 5.30 | 5.30 | 7.61 | 7.45 | 5.66 | 4.43 | 4.32 | 5,54 | 4.14 | 4.37 | 4.37 | 4.37 | 4.31 | 1 | 1 | −1.82 | ||
3 | 5.16 | 5.28 | 5.07 | 5.00 | 5.30 | 4.44 | 6.64 | 5.72 | 5.46 | 4.76 | 5.16 | 5,30 | 5.09 | 4.83 | 4.83 | 4.83 | 4.90 | 1.15 | 1.29 | 1 | 1 | −1.49 |
4 | 5.65 | 6.90 | 5.68 | 5.00 | 5.90 | 6.24 | 6.94 | 6.46 | 6.39 | 6.74 | 6.82 | 6,37 | 6.24 | 4.82 | 5.62 | 4.82 | 5.38 | 0.13 | 1 | −1.89 | ||
5 | 5.71 | 6.96 | 5.13 | 5.08 | 5.26 | 6.49 | 8.70 | 8.36 | 8.38 | 8.04 | 5.62 | 6,87 | 6.07 | 5.51 | 5.28 | 5.15 | 5.50 | 1.71 | 0.78 | 1 | 1 | −1.37 |
6 | 5.60 | 7.39 | 5.30 | 5.43 | 9.07 | 8.05 | 7.86 | 7.26 | 5.57 | 7,01 | 6.01 | 5.12 | 5.74 | 5.15 | 5.51 | 0.4 | 1 | −1.75 | ||||
7 | 6.43 | 9.36 | 7.53 | 5.08 | 5.80 | 8.16 | 8.38 | 8.00 | 7.89 | 7.86 | 7.46 | 7,69 | 7.86 | 5.18 | 5.21 | 5.07 | 5.83 | 1.21 | 1.89 | 1 | 2 | −0.71 |
8 | 8.47 | 7.86 | 7.10 | 6.20 | 6.17 | 8.00 | 8.71 | 8.35 | 6.41 | 7.52 | 7.15 | 7,57 | 7.56 | 5.17 | 5.45 | 5.33 | 5.88 | 0.71 | 1 | 1 | −1.57 | |
9 | 6.41 | 7.43 | 5.80 | 5.53 | 7.15 | 9.30 | 8.17 | 8.27 | 7.49 | 6.86 | 6.07 | 7,30 | 6.45 | 5.86 | 5.86 | 5.71 | 5.97 | 1.4 | −3.11 | 2 | 1 | −2.01 |
10 | 6.45 | 9.49 | 8.62 | 5.50 | 8.27 | 7.55 | 8.29 | 8.25 | 7.82 | 7.65 | 6.39 | 7,88 | 6.59 | 6.20 | 5.56 | 5.57 | 5.98 | 1.15 | 2.93 | 1 | 3 | 0.14 |
11 | 7.66 | 9.06 | 8.30 | 5.55 | 7.22 | 8.18 | 8.10 | 8.03 | 7.68 | 8.15 | 6.89 | 7,93 | 7.64 | 5.97 | 5.60 | 5.25 | 6.12 | 0.16 | 1 | 1 | −1.77 | |
12 | 5.83 | 7.76 | 6.01 | 5.37 | 7.42 | 8.10 | 9.05 | 8.85 | 7.05 | 8.02 | 6.31 | 7,44 | 7.68 | 5.49 | 5.66 | 5.84 | 6.17 | 1.7 | 0.52 | 1 | 2 | −0.87 |
13 | 6.04 | 7.05 | 5.87 | 5.73 | 6.58 | 7.81 | 9.38 | 6.73 | 6.44 | 7.72 | 7.02 | 7,06 | 8.28 | 5.55 | 5.61 | 5.24 | 6.17 | 1.55 | 2.85 | 1 | 3 | 0.30 |
14 | 4.92 | 7.99 | 6.42 | 5.92 | 6.84 | 6.54 | 8.79 | 9.35 | 6.88 | 7.62 | 6.02 | 7,14 | 7.20 | 5.89 | 5.66 | 6.00 | 6.19 | 1.55 | 0.34 | 1 | 1 | −1.57 |
15 | 5.70 | 8.25 | 6.88 | 5.90 | 7.77 | 7.64 | 9.01 | 8.67 | 6.71 | 8.00 | 6.42 | 7,51 | 8.10 | 5.77 | 5.54 | 5.73 | 6.29 | 1.65 | 3.97 | 3 | 3 | 1.88 |
16 | 5.23 | 8.14 | 6.91 | 5.87 | 6.83 | 5.17 | 8.65 | 8.74 | 8.27 | 8.08 | 5.77 | 7,18 | 7.72 | 6.11 | 5.85 | 6.04 | 6.43 | 1.58 | 3.24 | 2 | 3 | 1.03 |
17 | 6.51 | 6.66 | 5.77 | 5.67 | 6.19 | 6.51 | 6.31 | 6.38 | 5.70 | 7.68 | 5.88 | 6,36 | 7.89 | 6.86 | 6.20 | 5.40 | 6.59 | 0.98 | 2.55 | 1 | 2 | −0.63 |
18 | 5.57 | 8.43 | 7.74 | 6.72 | 7.52 | 7.06 | 7.62 | 7.74 | 8.21 | 7.43 | 6.17 | 7,35 | 8.25 | 6.95 | 6.28 | 6.59 | 7.02 | 1.51 | 0.7 | 1 | 2 | −0.91 |
19 | 5.75 | 8.43 | 7.81 | 6.11 | 7.71 | 7.45 | 8.14 | 8.47 | 7.49 | 8.84 | 6.55 | 7,66 | 8.10 | 7.21 | 6.56 | 7.22 | 7.27 | 3.25 | 2.8 | 3 | 3 | 2.28 |
20 | 6.50 | 8.58 | 8.54 | 6.37 | 8.93 | 8.23 | 8.13 | 7.95 | 7.66 | 8.19 | 6.89 | 7,96 | 8.71 | 7.74 | 6.85 | 7.14 | 7.61 | 2.32 | 2 | 3 | 1.28 | |
21 | 6.30 | 8.20 | 6.80 | 6.42 | 7.14 | 7.72 | 7.87 | 8.70 | 5.80 | 7,22 | 8.74 | 7.80 | 7.17 | 7.05 | 7.69 | 2.91 | 1.68 | 2 | 2 | 0.62 | ||
22 | 6.69 | 7.72 | 7.28 | 5.89 | 7.24 | 7.00 | 7.96 | 8.00 | 7.80 | 8.06 | 6.42 | 7,42 | 7.77 | 8.19 | 7.58 | 7.61 | 7.79 | 3.43 | 3 | 3 | 3 | 2.42 |
23 | 6.86 | 9.52 | 8.35 | 6.40 | 8.52 | 8.25 | 8.25 | 8.72 | 9.19 | 9.00 | 6.73 | 8,34 | 9.05 | 7.58 | 7.10 | 7.66 | 7.85 | 3.31 | 2 | 3 | 1.79 | |
24 | 6.59 | 8.22 | 7.69 | 7.09 | 8.00 | 7.11 | 6.83 | 6.47 | 7.48 | 8.01 | 7.15 | 7,36 | 8.70 | 8.22 | 7.08 | 7.59 | 7.90 | 4.21 | 4.23 | 3 | 3 | 3.12 |
25 | 5.76 | 8.35 | 7.98 | 7.15 | 8.06 | 6.68 | 7.69 | 7.46 | 7.49 | 6.94 | 6.55 | 7,30 | 8.85 | 8.15 | 7.32 | 7.36 | 7.92 | 3.8 | 3.83 | 3 | 3 | 2.82 |
↵a For the generic names of the compounds, see Scheme 1.
↵b Average binding affinity of GPCRs in the target list (5-HT1A, 5-HT2A, 5-HT2C, 5-HT6, 5-HT7, D2, D3, D4, α1, and α2).
↵c Average binding affinity of GPCRs in the antitarget list (H1, M1, M2, and M3).
↵d Mean logistic regression odds ratio for antipsychotic-induced new-onset type-2 diabetes versus no-treatment group.