Assay Report Card

Basic Information

ID: ALA1697730

Type: ADME

Description: Human drug-induced liver injury (DILI) modelling dataset from Ekins et al

Organism: Homo sapiens

Tissue: Liver

Activity Charts

Compound Summary

Parent Molecular WeightALogPPolar Surface Area
232.241.421.42
357.793.933.93
236.14-1.06-1.06
264.373.083.08
303.291.771.77
441.554.374.37
430.382.882.88
252.271.771.77
314.864.534.53
543.530.000.00
222.25-0.86-0.86
172.21-0.08-0.08
290.321.261.26
398.403.703.70
266.340.450.45
180.161.311.31
407.514.954.95
259.352.582.58
333.453.933.93
416.361.891.89
252.350.600.60
375.401.981.98
328.412.142.14
297.75-0.35-0.35
330.751.891.89
248.722.522.52
357.353.563.56
300.445.605.60
309.334.444.44
326.833.723.72
365.214.154.15
394.423.703.70
331.183.753.75
250.343.573.57
232.281.861.86
385.512.092.09
211.220.440.44
995.190.830.83
153.180.600.60
76.05-0.96-0.96
137.14-0.31-0.31
151.161.351.35
301.333.033.03
182.190.070.07
267.25-1.98-1.98
318.874.894.89
266.393.533.53
232.281.351.35
329.373.333.33
234.342.582.58
473.596.086.08
371.526.006.00
410.493.593.59
468.372.112.11
853.923.743.74
406.916.616.61
261.091.881.88
276.751.741.74
248.331.911.91
300.05
924.090.710.71
416.136.456.45
236.302.732.73
275.351.771.77
198.272.702.70
379.504.364.36
404.554.204.20
184.111.211.21
187.201.021.02
206.283.073.07
178.273.643.64
331.351.581.58
308.383.793.79
749.001.901.90
733.941.791.79
314.474.724.72
309.434.014.01
102.131.261.26
344.855.385.38
306.280.740.74
300.445.605.60
324.403.813.81
208.261.161.16
399.442.872.87
581.076.146.14
236.273.393.39
144.212.292.29
417.392.902.90
365.792.362.36
238.332.852.85
352.772.812.81
244.263.683.68
242.703.063.06
151.161.351.35
194.19-1.03-1.03
179.222.042.04
356.424.374.37
254.293.113.11
238.160.070.07
157.012.452.45
123.110.780.78
131.392.502.50
98.961.461.46
359.402.282.28
381.383.513.51
172.182.012.01
471.696.456.45
356.453.163.16
357.442.492.49
351.411.951.95
163.20-0.49-0.49
341.411.531.53
575.695.705.70
516.869.919.91
291.732.852.85
123.11-0.42-0.42
337.381.641.64
766.963.093.09
470.023.553.55
356.493.663.66
295.411.321.32
392.471.901.90
645.326.946.94
358.431.771.77
267.24-0.20-0.20
255.363.723.72
266.393.023.02
272.393.613.61
277.414.214.21
126.00-0.16-0.16
171.160.090.09
360.844.684.68
159.231.751.75
199.300.700.70
295.302.972.97
281.234.154.15
296.154.364.36
241.293.753.75
296.413.613.61
143.140.370.37
141.170.450.45
419.485.045.04
229.26-0.59-0.59
386.534.664.66
167.200.600.60
220.364.304.30
234.202.782.78
356.065.865.86
270.351.781.78
586.208.958.95
354.10-1.22-1.22
612.633.633.63
233.312.092.09
454.450.270.27
230.263.043.04
276.213.213.21
179.312.692.69
306.245.185.18
194.15-2.08-2.08
261.120.570.57
424.524.744.74
318.343.203.20
311.411.771.77
246.31-0.28-0.28
75.140.910.91
361.833.553.55
199.283.893.89
455.342.782.78
404.493.803.80
263.793.963.96
235.07-1.66-1.66
435.44-1.17-1.17
546.59-1.30-1.30
424.502.572.57
211.22-0.50-0.50
246.271.041.04
458.585.355.35
218.260.540.54
244.320.800.80
475.585.315.31
153.822.552.55
119.381.991.99
588.561.341.34
1449.27
495.645.275.27
318.144.744.74
1202.63
365.842.712.71
285.372.202.20
250.203.043.04
337.46-0.77-0.77
335.341.481.48
543.530.000.00
434.534.604.60
307.403.253.25
501.675.515.51
246.19-1.68-1.68
404.345.505.50
336.241.741.74
308.312.762.76
504.64-0.02-0.02
720.965.915.91
446.914.284.28
171.241.371.37
173.012.152.15
305.423.793.79
305.291.781.78
551.634.204.20
270.213.253.25
296.553.623.62
312.412.532.53
218.250.980.98
339.442.512.51
224.22-0.71-0.71
427.460.100.10
191.191.741.74
197.190.050.05
186.261.001.00
349.770.710.71
411.473.423.42
440.464.034.03
514.637.267.26
257.292.192.19
277.505.305.30
261.091.881.88
135.192.422.42
248.311.681.68
131.180.590.59
198.272.442.44
415.50-0.32-0.32
418.574.594.59
435.534.164.16
293.324.034.03
364.423.043.04
334.172.892.89
365.410.020.02
136.200.690.69
267.25-1.98-1.98
238.240.960.96
179.220.720.72
288.443.903.90
217.271.771.77
225.160.970.97
313.793.433.43
362.09
356.380.860.86
201.701.981.98
326.445.175.17
393.963.343.34
812.024.934.93
109.130.970.97
245.332.352.35
521.444.874.87
298.433.493.49
402.400.950.95
153.140.670.67
74.080.230.23
176.180.600.60
181.660.260.26
270.341.231.23
443.643.473.47
367.811.581.58
301.734.344.34
192.262.512.51
656.800.920.92
405.501.241.24
264.263.673.67
276.321.391.39
416.954.614.61
372.813.143.14
491.075.095.09
249.273.603.60
324.423.173.17
531.444.214.21
324.423.173.17
273.242.552.55
417.874.814.81
160.09-2.97-2.97
218.25-1.06-1.06
371.25
169.180.080.08
678.49
173.012.152.15
251.712.902.90
169.571.771.77
286.341.091.09
147.002.992.99
416.584.854.85
581.58-8.16-8.16
163.240.540.54
270.373.823.82
323.421.631.63
207.272.442.44
909.073.993.99
461.565.865.86
152.180.640.64
822.954.344.34
418.452.972.97
392.471.901.90
339.37-0.40-0.40
130.08-0.80-0.80
129.17-1.03-1.03
444.44-0.21-0.21
362.471.781.78
424.095.465.46
582.58-7.29-7.29
290.833.643.64
180.17-1.04-1.04
236.23-0.21-0.21
129.09-0.51-0.51
308.333.613.61
353.333.523.52
58.080.160.16
136.110.060.06
847.024.624.62
459.564.884.88
376.585.515.51
392.584.484.48
337.464.224.22
490.633.073.07
265.343.243.24
422.924.274.27
174.20-1.34-1.34
252.101.171.17
244.21-3.17-3.17
388.852.792.79
346.342.182.18
561.556.946.94
428.544.784.78
114.170.710.71
446.513.663.66
370.482.532.53
391.296.116.11
293.734.164.16
396.667.647.64
277.271.151.15
650.983.953.95
372.09-1.27-1.27
390.566.436.43
265.360.610.61
392.584.484.48
483.724.434.43
1255.44
176.12-1.41-1.41
217.290.630.63
325.36-0.39-0.39
136.243.313.31
471.52-0.79-0.79
187.711.911.91
367.452.232.23
324.402.212.21
438.522.572.57
124.230.210.21
349.410.350.35
575.63-1.40-1.40
309.410.630.63
579.990.000.00
62.07-1.03-1.03
285.69-0.30-0.30
291.823.353.35
441.40-0.04-0.04
179.17-3.25-3.25
473.571.101.10
418.430.590.59
803.001.671.67
244.21-3.01-3.01
363.390.150.15
923.053.523.52
390.873.823.82
679.66-8.16-8.16
524.8711.5411.54
182.17-3.59-3.59
254.172.402.40
316.883.883.88
450.993.373.37
276.213.303.30
266.562.362.36
513.515.095.09
337.852.872.87
384.272.062.06
247.721.131.13
323.874.704.70
388.423.203.20
116.07-0.29-0.29
387.811.801.80
465.953.363.36
244.082.652.65
813.983.623.62
711.882.872.87
289.163.593.59
747.962.442.44
794.045.105.10
467.52-6.30-6.30
780.952.222.22
249.272.532.53
173.13-1.76-1.76
323.371.521.52
515.993.683.68
463.994.114.11
436.472.482.48
460.776.526.52
564.44-1.13-1.13
389.513.473.47
421.034.834.83
475.892.552.55
121.14-2.34-2.34
461.513.663.66
474.806.646.64
368.81-2.93-2.93
257.761.051.05
337.852.962.96
312.841.961.96
291.832.652.65
320.894.244.24
501.320.260.26
521.054.094.09
1422.72
544.99-0.35-0.35
490.034.584.58
461.450.390.39
562.10-0.65-0.65
215.722.032.03
290.404.474.47
384.524.434.43
489.065.485.48
187.671.071.07
510.333.203.20
201.701.331.33
244.25-0.05-0.05
320.894.244.24
371.390.320.32
182.70-1.92-1.92
340.294.194.19
459.975.105.10
408.332.362.36
309.341.131.13
474.403.443.44
455.511.921.92
432.500.500.50
377.472.842.84
493.940.190.19
424.932.582.58
777.09-1.01-1.01
53.49
435.323.933.93
313.874.174.17
533.961.021.02
891.545.455.45
422.492.442.44
437.483.363.36
249.712.662.66
483.480.090.09
445.450.480.48
388.943.413.41
444.705.805.80
544.764.904.90
377.913.243.24
247.721.081.08
376.412.292.29
153.61-0.22-0.22
511.51-0.73-0.73
310.443.923.92
299.853.833.83
231.251.421.42
348.513.483.48
441.481.531.53
180.16-3.83-3.83
178.57-0.26-0.26
488.33-2.23-2.23
32.05-1.18-1.18
300.832.622.62
169.651.501.50
429.934.514.51
336.262.002.00
370.333.383.38
436.964.194.19
484.50-0.23-0.23
294.18
185.253.573.57
302.12-1.08-1.08
261.392.712.71
517.41-0.14-0.14
209.120.840.84
183.32
306.404.384.38
175.230.970.97
285.273.823.82
184.240.940.94
265.22-2.89-2.89
123.980.340.34
312.282.282.28
388.401.941.94
273.75
185.253.573.57
86.090.350.35
561.57-0.23-0.23
373.924.504.50
90.08-0.28-0.28
681.71-1.11-1.11
614.736.836.83
576.57-1.20-1.20
848.343.163.16
448.511.531.53
369.10
108.132.102.10
387.451.931.93
314.411.461.46
476.54-1.04-1.04
494.710.740.74
310.412.292.29
312.453.883.88
1356.40
515.350.440.44
478.89-0.44-0.44
713.71-8.86-8.86
1056.402.752.75
411.474.634.63
392.18
405.976.566.56
782.963.173.17
395.68
1313.431.991.99
465.255.185.18
522.553.713.71
418.666.736.73
368.501.581.58
469.541.941.94
740.761.541.54