Table 3.
Toxicity risks and physicochemical properties of crizotinib and virtual compounds predicted by OSIRIS property explorer
| S. no | Compound ID | Mutagenic | Tumorigenic | Reproductive effective | cLogP | Solubility | Drug likeness | Drug score |
|---|---|---|---|---|---|---|---|---|
| 1 | Crizotinib | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 2 | CID: 11597571 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 3 | CID: 11626560 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 4 | CID: 53234260 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 5 | CID: 53234326 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 6 | CID: 56671814 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 7 | CID: 60197531 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 8 | CID: 60197626 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 9 | CID: 60198523 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 10 | CID: 60198524 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 11 | CID: 60198525 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 12 | CID: 60199015 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 13 | CID: 60199016 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 14 | CID: 60199073 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 15 | CID: 60199075 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 16 | CID: 60199076 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 17 | CID: 60199077 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 18 | CID: 62705017 | No | No | No | 3.54 | −5.26 | 3.12 | 0.52 |
| 19 | CID: 68625002 | No | No | No | 3.78 | −5.69 | 3.68 | 0.46 |
| 20 | CID: 54613769 | No | No | No | 3.54 | −5.26 | 3.22 | 0.53 |
| 21 | CID: 11662380 | No | No | Yes | 3.54 | −5.26 | 2.78 | 0.42 |
| 22 | CID: 11626823 | No | No | No | 3.29 | −5.78 | 3.45 | 0.48 |
| 23 | CID: 58659191 | No | Yes | No | 3.64 | −5.58 | 3.17 | 0.29 |
| 24 | CID: 44560358 | No | No | No | 3.25 | −5.19 | 2.42 | 0.54 |
| 25 | CID: 71239831 | No | No | No | 4.19 | −5.96 | 1.79 | 0.38 |
| 26 | CID: 71239833 | No | No | No | 4.19 | −5.96 | 1.45 | 0.37 |
| 27 | CID: 71240010 | No | No | No | 4.19 | −5.96 | 1.79 | 0.38 |
| 28 | CID: 71240011 | No | No | No | 4.19 | −5.96 | 1.79 | 0.38 |
| 29 | CID: 11496366 | No | No | No | 3.79 | −4.90 | 7.62 | 0.54 |
| 30 | CID: 11562021 | No | No | No | 4.2 | −5.22 | 7.51 | 0.48 |
| 31 | CID: 11626824 | No | No | No | 3.79 | −4.90 | 7.62 | 0.54 |
| 32 | CID: 11598102 | No | No | No | 3.89 | −6.11 | 2.11 | 0.41 |
| 33 | CID: 11641497 | No | No | No | 2.38 | −4.53 | 4.34 | 0.49 |
| 34 | CID: 11690598 | No | No | No | 3.03 | −4.84 | 3.12 | 0.6 |
| 35 | CID: 68563708 | No | No | No | 3.03 | −4.84 | 3.12 | 0.6 |
| 36 | CID: 11562217 | No | No | No | 3.44 | −5.35 | 2.82 | 0.29 |
| 37 | CID: 11612136 | No | No | No | 3.68 | −5.4 | −0.93 | 0.33 |
| 38 | CID: 58659130 | No | No | No | 3.03 | −4.84 | 3.22 | 0.60 |
| 39 | CID: 11625675 | No | No | No | 3.75 | −5.39 | 2.56 | 0.53 |
| 40 | CID: 67084493 | No | No | No | 4.04 | −6.15 | 1.21 | 0.37 |
| 41 | CID: 11676204 | No | No | No | 2.28 | −4.96 | 3.76 | 0.62 |
| 42 | CID: 11684380 | No | No | No | 3.55 | −5.42 | 7.62 | 0.54 |
| 43 | CID: 58659192 | No | Yes | No | 4 | −6.42 | 2.17 | 0.22 |
| 44 | CID: 59599446 | No | No | No | 2.47 | −5.33 | 4.07 | 0.53 |
| 45 | CID: 11503318 | No | No | No | 3.01 | −5.73 | 0.63 | 0.42 |
| 46 | CID: 11510387 | No | No | No | 3.30 | −6.39 | 3.37 | 0.47 |
| 47 | CID: 11568619 | No | No | No | 3.01 | −5.73 | 0.63 | 0.42 |
| 48 | CID: 11575401 | No | No | No | 2.85 | −4.72 | 3.34 | 0.63 |
| 49 | CID: 11647760 | No | No | No | 3.20 | −4.99 | 3.81 | 0.58 |
| 50 | CID: 58659136 | No | No | No | 3.20 | −4.99 | 3.81 | 0.48 |
| 51 | CID: 58659189 | Yes | No | No | 3.78 | −5.29 | 4.46 | 0.31 |
| 52 | CID: 72986690 | No | No | No | 3.01 | −5.73 | 0.63 | 0.42 |
| 53 | CID: 11676140 | No | No | No | 4.16 | −5.75 | 1.66 | 0.44 |
| 54 | CID: 58659141 | No | No | No | 3.44 | −5.91 | −0.32 | 0.33 |
| 55 | CID: 11705849 | No | No | No | 4.15 | −5.74 | 2.96 | 0.42 |
| 56 | CID: 11719356 | No | No | No | 3.63 | −4.96 | 2.31 | 0.53 |
| 57 | CID: 11647759 | No | No | No | 2.61 | −5.24 | 3.45 | 0.57 |
| 58 | CID: 21110753 | No | No | No | 2.52 | −4.67 | 3.67 | 0.59 |
| 59 | CID: 21110757 | No | No | No | 3.00 | −5.47 | 2.35 | 0.56 |
| 60 | CID: 73386634 | No | No | No | 3.00 | −5.47 | 2.35 | 0.56 |
| 61 | CID: 11647795 | No | No | No | 3.34 | −5.13 | 0.85 | 0.48 |