Table 6.
Toxicity Predictions of the lead molecules by TOPKAT.
| Toxicity Parameters | ZINC08832860 | ZINC15018994 | ZINC38550809 | ZINC38550756 | ZINC43932053 | ZINC68997780 |
|---|---|---|---|---|---|---|
| NTP carcinogenicity male Rat | Non-Carcinogen | Non-Carcinogen | Non-Carcinogen | Carcinogen | Non-Carcinogen | Non-Carcinogen |
| NTP carcinogenicity female Rat | Carcinogen | Non-Carcinogen | Non-Carcinogen | Carcinogen | Non-Carcinogen | Non-Carcinogen |
| NTP carcinogenicity Call (Male mouse) | Carcinogen | Non-Carcinogen | Non-Carcinogen | Non-Carcinogen | Non-Carcinogen | Non-Carcinogen |
| NTP carcinogenicity Call (Female mouse) | Non-Carcinogen | Non-Carcinogen | Non-Carcinogen | Non-Carcinogen | Non-Carcinogen | Non-Carcinogen |
| AMES Mutagenicity | Non-Mutagen | Non-Mutagen | Non-Mutagen | Mutagen | Non-Mutagen | Non-Mutagen |
| Developmental Toxicity Potential (DTP) | Toxic | Non-Toxic | Toxic | Non-Toxic | Toxic | Toxic |
| Rat oral LD50(in g/kg) | 0.584905 | 0.553094 | 0.625799 | 0.562206 | 1.08561 | 0.154681 |
| Skin irritation | None | None | None | None | None | None |
| Probability of Bio- degradability | Non-Degradable | Non-Degradable | Non-Degradable | Non-Degradable | Non-Degradable | Non-Degradable |