|
Compound ID
|
AMES toxicity
|
hERG I inhibitor
|
hERG II inhibitor
|
Hepatotoxicity
|
Skin sensitization
|
|---|
|
ML2
|
No
|
No
|
No
|
No
|
No
|
|
ML4
|
No
|
No
|
No
|
Yes
|
Yes
|
|
ML5
|
No
|
No
|
No
|
No
|
Yes
|
|
ML6
|
No
|
No
|
No
|
No
|
Yes
|
|
ML7
|
No
|
No
|
Yes
|
No
|
Yes
|
|
ML8
|
No
|
No
|
No
|
No
|
Yes
|
|
ML9
|
No
|
No
|
No
|
No
|
No
|
|
ML10
|
No
|
No
|
Yes
|
No
|
Yes
|
|
ML11
|
No
|
No
|
No
|
Yes
|
Yes
|
|
ML12
|
No
|
No
|
No
|
No
|
Yes
|
|
ML13
|
No
|
No
|
No
|
No
|
No
|
|
ML14
|
No
|
No
|
No
|
No
|
Yes
|
|
ML15
|
No
|
No
|
Yes
|
No
|
No
|
|
MS1
|
No
|
No
|
No
|
No
|
Yes
|
|
MS2
|
No
|
No
|
No
|
No
|
No
|
|
MS3
|
No
|
No
|
No
|
No
|
Yes
|
|
MS4
|
No
|
No
|
No
|
Yes
|
Yes
|
|
MS5
|
No
|
No
|
Yes
|
No
|
Yes
|
|
Compound ID
|
MTD (Human) Log (mg/kg/day)
|
LD50 (mol/kg)
|
LOAEL Log (mg/kg_bw/day)
|
T.pT Log (µg/L)
|
MT Log (mM)
|
|---|
|
ML2
|
0.486
|
1.573
|
2.366
|
0.597
|
0.522
|
|
ML4
|
0.739
|
1.967
|
1.947
|
1.131
|
0.893
|
|
ML5
|
0.081
|
2.118
|
2.015
|
1.690
|
0.205
|
|
ML6
|
0.021
|
1.534
|
1.120
|
2.065
|
− 0.850
|
|
ML7
|
0.133
|
1.603
|
1.043
|
1.903
|
− 1.590
|
|
ML8
|
1.178
|
1.635
|
2.998
|
1.935
|
− 1.373
|
|
ML9
|
0.328
|
2.754
|
3.415
|
0.285
|
− 6.020
|
|
ML10
|
0.133
|
1.603
|
1.043
|
1.903
|
− 1.590
|
|
ML11
|
− 0.943
|
1.604
|
3.251
|
0.366
|
− 1.438
|
|
ML12
|
0.228
|
1.725
|
2.815
|
2.120
|
− 1.744
|
|
ML13
|
0.442
|
2.552
|
0.529
|
0.285
|
− 13.725
|
|
ML14
|
0.085
|
1.503
|
1.122
|
2.010
|
− 1.236
|
|
ML15
|
1.236
|
1.332
|
2.733
|
0.676
|
− 3.150
|
|
MS1
|
0.178
|
1.635
|
2.998
|
1.935
|
− 1.373
|
|
MS2
|
0.328
|
2.754
|
3.415
|
0.285
|
− 6.020
|
|
MS3
|
0.040
|
1.637
|
3.075
|
1.529
|
− 1.727
|
|
MS4
|
− 0.943
|
1.604
|
3.251
|
0.366
|
− 1.438
|
|
MS5
|
− 0.245
|
1.773
|
0.920
|
1.637
|
− 1.120
|
- AMES mutagenicity, hERG human ether-a-go-go gene, MTD maximum tolerated dose, LD50 oral rat acute toxicity, LOAEL oral rat chronic toxicity, T.pT T. pyriformis Toxicity, MT minnow toxicity
