Rodent Carcingogenicity
CMC-like rule
CMC-like rule is similar to rule of five. This is published by Arup K. Ghose et al.. They defined druglike character for the CMC database, which is removed several classes of compounds such as diagnostic imaging agents, solvents, and pharmaceutical aids. In this study, the qualifying range (covering more than 80% of the compounds) of the calculated log P is between -0.4 and 5.6, with an average value of 2.52. For molecular weight, the qualifying range is between 160 and 480, with an average value of 357. For molar refractivity, the qualifying range is between 40 and 130, with an average value of 97. For the total number of atoms, the qualifying range is between 20 and 70, with an average value of 48. The following table is about the qualifying range.
[ Ghose,A.K. et al. J. Comb. Chem. 1999, 1, 55. ]
| drug class | Qualifying Range in CMC Database | ||||
| AlogP
(80%) |
AMR
(80%) |
Molecular Weight
(80%) |
Number of Atoms
(80%) |
||
| CMC clean | -0.4 ~ 5.6 | 40 ~ 130 | 160 ~ 480 | 20 ~ 70 | |
| inflammatory | 1.4 ~4.5 | 59 ~ 119 | 212 ~ 447 | 24 ~ 59 | |
| depressant | 1.4 ~ 4.9 | 62 ~ 114 | 210 ~ 380 | 32 ~ 56 | |
| psychotic | 2.3 ~ 5.2 | 85 ~ 131 | 274 ~ 464 | 40 ~ 63 | |
| hypertensive | -0.5 ~ 4.5 | 54 ~ 128 | 206 ~ 506 | 28 ~ 66 | |
| hypnotic | 0.5 ~ 3.9 | 43 ~ 97 | 162 ~ 360 | 20 ~ 45 | |
| neoplastic | -1.5 ~ 4.7 | 43 ~ 128 | 180 ~ 475 | 21 ~ 63 | |
| infective | -0.3 ~ 5.1 | 44 ~ 144 | 145 ~ 455 | 12 ~ 64 | |
Related posts