Table 5. Average promiscuity of compounds with different molecular weight.
| MW range | K i | ||
|---|---|---|---|
| #Compounds | Avg. # targets/compound | ||
| All | Promiscuous | ||
| ≤ 200 | 786 | 2.7 | 4.1 |
| (200, 300) | 3949 | 2.0 | 3.2 |
| (300, 400) | 10,913 | 1.8 | 2.9 |
| (400, 500) | 11,501 | 1.6 | 2.7 |
| (500, 600) | 6015 | 1.6 | 2.8 |
| (600, 700) | 1878 | 1.6 | 3.0 |
| > 700 | 1497 | 1.7 | 2.8 |
| MW range | IC 50 | ||
| #Compounds | Avg. # targets/compound | ||
| All | Promiscuous | ||
| ≤ 200 | 1022 | 1.6 | 2.8 |
| (200, 300) | 9627 | 1.6 | 2.8 |
| (300, 400) | 25,190 | 1.4 | 2.7 |
| (400, 500) | 26,358 | 1.4 | 2.6 |
| (500, 600) | 12,534 | 1.4 | 2.6 |
| (600, 700) | 3247 | 1.3 | 2.8 |
| > 700 | 2495 | 1.4 | 2.9 |
From ChEMBL release 14, compounds were selected and divided into seven subsets with increasing MW. The average number of targets is reported for compounds in all MW ranges. In addition, corresponding statistics are provided (in italics) for promiscuous compounds only (i.e., compounds having two or more target annotations).