Assay Report Card

Basic Information

ID: ALA1697778

Type: ADME

Description: Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans

Organism: Homo sapiens

Tissue: Liver

Activity Charts

Compound Summary

Parent Molecular WeightALogPPolar Surface Area
383.411.781.78
162.241.851.85
232.241.421.42
357.793.933.93
233.24-0.79-0.79
331.351.581.58
319.341.271.27
270.374.794.79
523.467.137.13
135.211.581.58
236.14-1.06-1.06
264.373.083.08
280.423.883.88
365.842.082.08
303.291.771.77
441.554.374.37
430.382.882.88
284.753.153.15
267.371.611.61
391.566.866.86
268.364.834.83
182.65-0.21-0.21
252.271.771.77
914.196.186.18
804.034.644.64
216.192.552.55
258.321.341.34
543.530.000.00
222.25-0.86-0.86
172.21-0.08-0.08
290.321.261.26
454.615.095.09
398.403.703.70
414.533.373.37
266.340.450.45
180.161.311.31
341.430.560.56
138.121.091.09
259.352.582.58
334.400.860.86
252.350.600.60
375.401.981.98
456.717.097.09
328.412.142.14
401.442.372.37
325.372.112.11
211.261.131.13
297.75-0.35-0.35
330.751.891.89
248.722.522.52
264.311.171.17
250.280.860.86
236.271.251.25
581.671.991.99
300.445.605.60
232.240.700.70
309.334.444.44
253.281.371.37
184.190.160.16
326.833.723.72
263.383.833.83
278.341.481.48
226.281.181.18
399.975.975.97
226.281.181.18
236.271.201.20
210.230.570.57
208.220.490.49
299.762.952.95
224.260.960.96
393.474.514.51
303.143.613.61
331.183.753.75
250.343.573.57
293.373.133.13
385.512.092.09
395.432.422.42
211.220.440.44
302.373.573.57
267.332.852.85
375.874.434.43
354.495.655.65
266.302.652.65
282.476.116.11
314.475.745.74
444.49-0.14-0.14
153.180.600.60
76.05-0.96-0.96
414.412.412.41
137.14-0.31-0.31
258.230.090.09
348.362.082.08
482.442.362.36
272.371.091.09
408.463.743.74
494.013.643.64
182.190.070.07
267.25-1.98-1.98
370.595.895.89
369.373.523.52
586.694.094.09
285.341.201.20
287.22-0.05-0.05
299.371.501.50
318.874.894.89
387.525.705.70
232.281.351.35
319.884.814.81
329.373.333.33
234.342.582.58
327.381.301.30
371.526.006.00
654.613.193.19
360.493.543.54
410.493.593.59
299.802.002.00
853.923.743.74
354.493.483.48
406.916.616.61
305.503.203.20
261.091.881.88
276.751.741.74
316.430.500.50
160.180.920.92
924.090.710.71
416.136.456.45
236.302.732.73
275.351.771.77
404.554.204.20
228.252.032.03
78.14-0.01-0.01
274.803.823.82
259.352.782.78
244.890.430.43
214.051.161.16
233.702.252.25
304.223.383.38
287.414.704.70
187.201.021.02
339.483.363.36
264.322.472.47
206.283.073.07
313.292.552.55
281.272.382.38
178.273.643.64
331.351.581.58
308.383.793.79
749.001.901.90
733.941.791.79
314.474.724.72
238.293.123.12
310.353.143.14
110.111.101.10
60.050.090.09
137.140.970.97
163.391.441.44
94.111.391.39
124.141.401.40
344.855.385.38
334.33-1.65-1.65
46.070.000.00
265.351.991.99
306.280.740.74
300.445.605.60
352.473.253.25
354.463.203.20
507.18-1.63-1.63
401.853.303.30
324.403.813.81
208.261.161.16
399.442.872.87
236.273.393.39
354.452.652.65
144.212.292.29
242.272.752.75
560.690.920.92
463.805.945.94
352.772.812.81
244.263.683.68
242.703.063.06
112.09-0.94-0.94
151.161.351.35
194.19-1.03-1.03
179.222.042.04
403.983.943.94
286.722.452.45
356.424.374.37
68.081.281.28
354.496.506.50
352.435.265.26
254.293.113.11
238.160.070.07
123.110.780.78
59.07-0.51-0.51
348.401.131.13
376.451.601.60
131.392.502.50
310.405.195.19
60.100.390.39
670.863.093.09
613.802.872.87
567.804.754.75
505.642.402.40
381.383.513.51
395.462.552.55
172.182.012.01
471.696.456.45
336.484.144.14
357.442.492.49
281.362.842.84
351.411.951.95
163.20-0.49-0.49
341.411.531.53
575.695.705.70
314.362.562.56
241.680.820.82
382.543.953.95
247.342.212.21
250.303.003.00
516.869.919.91
135.211.581.58
454.913.963.96
331.41-0.21-0.21
388.471.501.50
123.11-0.42-0.42
200.17-0.02-0.02
396.450.590.59
407.585.685.68
131.13-1.10-1.10
560.642.412.41
383.47-0.31-0.31
371.872.362.36
287.363.383.38
470.023.553.55
201.252.692.69
278.310.190.19
277.414.174.17
392.471.901.90
645.326.946.94
358.431.771.77
277.413.043.04
267.24-0.20-0.20
349.322.182.18
323.130.910.91
235.331.341.34
336.432.372.37
284.434.244.24
360.451.561.56
325.452.372.37
374.481.801.80
309.454.294.29
414.353.443.44
230.102.362.36
265.362.482.48
325.774.324.32
272.393.613.61
255.363.353.35
151.251.911.91
146.210.260.26
171.160.090.09
360.844.684.68
183.210.350.35
367.810.620.62
1297.30
244.292.672.67
295.302.972.97
281.234.154.15
296.154.364.36
241.293.753.75
182.17-3.59-3.59
296.413.613.61
92.09-1.67-1.67
423.431.901.90
143.140.370.37
264.372.622.62
249.301.461.46
213.661.861.86
517.56-0.24-0.24
153.140.670.67
300.445.605.60
475.364.434.43
389.461.351.35
419.485.045.04
229.26-0.59-0.59
239.311.311.31
312.443.443.44
386.534.664.66
137.140.490.49
406.483.743.74
167.200.600.60
373.954.584.58
628.814.334.33
227.08-1.02-1.02
303.32-0.08-0.08
75.07-0.49-0.49
211.180.020.02
284.291.311.31
256.102.012.01
237.732.902.90
234.202.782.78
182.22-0.25-0.25
303.834.194.19
191.95-0.16-0.16
608.694.174.17
75.07-0.97-0.97
167.210.640.64
199.16-1.10-1.10
284.752.612.61
270.351.781.78
393.704.404.40
586.208.958.95
612.633.633.63
233.312.092.09
294.753.273.27
454.450.270.27
359.471.551.55
291.381.221.22
190.21-0.96-0.96
209.25-0.13-0.13
230.263.043.04
243.22-2.56-2.56
276.213.213.21
381.695.805.80
306.245.185.18
194.15-2.08-2.08
318.343.203.20
354.493.043.04
311.411.771.77
287.300.640.64
246.31-0.28-0.28
291.444.884.88
320.320.660.66
361.833.553.55
182.17-0.23-0.23
404.493.803.80
231.301.551.55
621.934.634.63
263.793.963.96
435.44-1.17-1.17
477.055.095.09
416.655.705.70
279.341.811.81
149.210.150.15
289.555.145.14
392.412.082.08
295.454.374.37
305.211.931.93
211.22-0.50-0.50
246.271.041.04
218.260.540.54
244.320.800.80
152.11-0.24-0.24
218.261.471.47
201.222.562.56
226.232.232.23
260.242.862.86
320.342.732.73
588.561.341.34
545.632.582.58
1449.27
198.140.190.19
810.993.993.99
1202.63
302.413.623.62
157.210.840.84
321.340.540.54
342.30-5.40-5.40
239.753.303.30
271.403.383.38
374.913.063.06
285.372.202.20
250.203.043.04
269.393.663.66
178.15-0.92-0.92
518.566.386.38
337.46-0.77-0.77
543.530.000.00
303.201.941.94
307.403.253.25
240.211.871.87
246.19-1.68-1.68
501.482.702.70
554.59-1.20-1.20
301.392.962.96
204.231.121.12
336.241.741.74
146.15-1.34-1.34
308.312.762.76
197.382.512.51
504.64-0.02-0.02
226.282.642.64
720.965.915.91
446.914.284.28
229.63-1.08-1.08
392.413.023.02
305.423.793.79
305.291.781.78
260.313.173.17
551.634.204.20
270.213.253.25
310.340.880.88
605.643.213.21
374.453.413.41
301.340.750.75
296.553.623.62
257.721.821.82
300.752.472.47
187.292.182.18
285.433.883.88
164.18-0.20-0.20
282.223.543.54
283.350.630.63
705.655.585.58
407.994.464.46
312.412.532.53
218.250.980.98
60.06-0.98-0.98
318.333.563.56
286.465.515.51
224.22-0.71-0.71
388.903.153.15
300.753.373.37
337.381.641.64
197.190.050.05
346.11
520.48-1.13-1.13
610.676.326.32
514.637.267.26
251.25-0.95-0.95
261.091.881.88
200.283.183.18
219.28-1.45-1.45
393.361.991.99
384.657.627.62
248.311.681.68
136.151.311.31
131.180.590.59
247.140.520.52
415.50-0.32-0.32
418.574.594.59
252.272.642.64
435.534.164.16
352.484.364.36
228.293.373.37
293.324.034.03
364.423.043.04
418.975.785.78
161.662.232.23
334.172.892.89
253.721.721.72
129.160.360.36
824.973.523.52
365.410.020.02
307.483.203.20
246.352.732.73
136.200.690.69
267.25-1.98-1.98
288.433.883.88
404.502.352.35
238.240.960.96
242.711.751.75
179.220.720.72
288.443.903.90
217.271.771.77
225.160.970.97
379.443.683.68
432.503.413.41
598.706.636.63
314.372.262.26
378.433.523.52
118.16-0.22-0.22
244.20-2.85-2.85
501.737.297.29
336.615.575.57
405.450.880.88
246.19-1.69-1.69
326.445.175.17
812.024.934.93
409.434.894.89
122.130.180.18
171.271.541.54
337.464.504.50
260.27-1.60-1.60
152.151.181.18
424.532.442.44
327.343.053.05
404.934.754.75
196.11
384.25
245.332.352.35
298.433.493.49
704.874.214.21
416.522.382.38
368.393.853.85
153.140.670.67
344.504.844.84
165.833.073.07
297.424.634.63
176.180.600.60
317.433.243.24
510.290.410.41
270.341.231.23
467.653.243.24
262.220.840.84
301.734.344.34
167.210.650.65
401.892.552.55
151.211.071.07
324.383.493.49
260.332.022.02
405.501.241.24
164.16-2.54-2.54
596.823.663.66
416.954.614.61
30.03-0.18-0.18
184.492.352.35
184.492.352.35
192.12-1.25-1.25
339.614.714.71
190.98-0.17-0.17
395.27
372.813.143.14
317.222.452.45
249.273.603.60
170.21-0.13-0.13
378.113.193.19
214.210.580.58
473.417.497.49
536.8912.6112.61
324.423.173.17
531.444.214.21
82.110.720.72
191.14-1.28-1.28
163.20-0.49-0.49
273.724.164.16
279.382.982.98
221.301.051.05
273.242.552.55
313.312.792.79
767.911.521.52
257.442.162.16
329.232.732.73
205.260.240.24
161.20-1.81-1.81
164.972.032.03
495.756.886.88
222.243.463.46
622.767.167.16
371.25
240.374.214.21
328.506.556.55
84.01
82.03
144.10
349.410.320.32
169.180.080.08
614.65-8.90-8.90
430.542.722.72
251.712.902.90
169.571.771.77
593.804.304.30
612.64-3.88-3.88
273.362.012.01
260.313.173.17
314.475.855.85
413.432.882.88
253.742.212.21
325.505.345.34
615.63-8.86-8.86
484.50-7.29-7.29
288.392.582.58
298.433.643.64
416.584.854.85
302.464.274.27
569.512.592.59
585.61-8.42-8.42
303.361.871.87
581.58-8.16-8.16
527.531.031.03
293.372.932.93
266.341.121.12
270.373.823.82
290.271.551.55
323.421.631.63
165.241.331.33
86.14-0.82-0.82
279.864.744.74
461.565.865.86
288.433.883.88
152.180.640.64
230.681.681.68
822.954.344.34
418.452.972.97
392.471.901.90
255.23-1.97-1.97
225.21-1.33-1.33
339.37-0.40-0.40
414.728.028.02
130.08-0.80-0.80
149.210.110.11
129.17-1.03-1.03
444.44-0.35-0.35
457.480.190.19
454.52-0.64-0.64
453.882.692.69
516.725.675.67
169.180.090.09
444.44-0.21-0.21
166.251.281.28
458.501.981.98
362.471.781.78
424.095.465.46
315.684.074.07
74.09-1.66-1.66
135.13-0.11-0.11
284.785.615.61
394.440.620.62
180.17-1.04-1.04
204.302.152.15
433.502.522.52
470.696.416.41
236.23-0.21-0.21
608.55-1.09-1.09
129.09-0.51-0.51
308.333.613.61
353.333.523.52
280.324.044.04
336.302.902.90
679.862.452.45
136.110.060.06
518.095.145.14
847.024.624.62
697.784.754.75
459.564.884.88
392.584.484.48
337.464.224.22
384.263.963.96
265.343.243.24
317.343.383.38
422.924.274.27
474.591.611.61
174.20-1.34-1.34
558.656.316.31
244.21-3.17-3.17
281.444.574.57
408.882.272.27
337.575.565.56
338.443.463.46
481.552.402.40
212.250.940.94
156.612.662.66
764.953.253.25
346.342.182.18
383.382.882.88
345.422.902.90
342.30-5.40-5.40
434.502.422.42
356.515.355.35
428.544.784.78
114.170.710.71
460.44-1.24-1.24
170.241.381.38
430.552.772.77
231.263.253.25
248.311.961.96
391.296.116.11
411.635.005.00
156.272.442.44
1415.58
310.484.874.87
376.37-1.72-1.72
461.500.090.09
310.340.880.88
253.26-0.90-0.90
453.46-0.54-0.54
277.271.151.15
650.983.953.95
265.360.610.61
478.890.440.44
311.381.751.75
392.584.484.48
469.391.691.69
610.57-1.16-1.16
1255.44
176.12-1.41-1.41
268.23-2.27-2.27
217.290.630.63
289.381.931.93
302.465.995.99
467.654.414.41
645.61-8.56-8.56
315.412.972.97
333.350.770.77
372.424.034.03
354.812.562.56
656.662.752.75
475.59-3.20-3.20
440.415.185.18
360.372.572.57
368.471.941.94
165.400.670.67
358.273.263.26
516.461.031.03
324.402.212.21
149.11-1.23-1.23
438.522.572.57
570.776.836.83
271.341.061.06
575.63-1.40-1.40
309.410.630.63
579.990.000.00
1701.21
285.69-0.30-0.30
441.40-0.04-0.04
390.965.565.56
776.874.564.56
228.252.632.63
179.17-3.25-3.25
392.335.185.18
96.06
473.571.101.10
960.826.676.67
589.724.594.59
244.21-3.01-3.01
363.390.150.15
350.443.293.29
371.392.582.58
402.492.562.56
267.28-4.49-4.49
761.853.413.41
405.976.226.22
1143.41
843.062.332.33
1270.29
863.3617.8517.85
320.055.935.93
234.732.702.70
645.68-1.11-1.11
473.45-0.73-0.73
182.17-3.59-3.59
402.534.074.07
186.241.561.56
260.22-1.57-1.57
291.823.723.72
388.423.203.20
465.953.363.36
455.47-0.62-0.62
583.692.082.08
813.983.623.62
778.954.754.75
289.163.593.59
373.373.713.71
268.27-2.71-2.71
747.962.442.44
147.13-0.74-0.74
186.192.092.09
467.52-6.30-6.30
303.68-0.35-0.35
780.952.222.22
424.990.390.39
138.06-0.09-0.09
225.291.521.52
158.12-2.18-2.18
321.833.673.67
359.350.760.76
422.370.490.49
180.16-3.22-3.22
245.373.303.30
340.11-2.99-2.99
282.302.552.55
1214.65
1139.76
301.392.872.87
414.691.881.88
400.606.406.40
280.310.870.87
242.232.622.62
306.453.543.54
821.14-1.63-1.63
330.362.122.12
637.045.555.55
654.620.900.90
1092.231.791.79
1018.421.791.79
1422.72
90.08-0.55-0.55
291.141.811.81
481.544.884.88
195.22-3.36-3.36
862.94
635.903.123.12
332.484.404.40
1736.18
665.730.120.12
862.062.682.68
558.604.174.17
200.052.422.42
960.826.676.67
273.741.621.62
95.53-1.16-1.16
168.042.082.08
183.251.131.13
312.454.504.50
498.966.356.35
414.983.173.17
351.831.051.05
232.281.231.23
183.48
428.667.187.18
596.863.163.16
228.21-2.14-2.14
338.443.723.72
384.524.584.58
340.464.064.06
310.443.923.92
364.535.235.23
432.770.260.26
1096.35
149.241.841.84
753.008.718.71
1322.50
345.422.902.90
483.87
506.714.054.05
421.474.524.52
311.423.843.84
398.503.293.29
339.484.284.28
310.443.663.66
837.062.212.21
180.16-3.22-3.22
180.16-3.83-3.83
506.37-2.47-2.47
663.43-3.65-3.65
156.10-1.24-1.24
387.41-0.32-0.32
356.230.400.40
227.131.721.72
263.382.632.63
527.570.470.47
1085.16
596.858.918.91
185.232.152.15
298.351.021.02
429.605.415.41
242.240.090.09
323.822.352.35
420.43-1.04-1.04
484.393.913.91
180.281.671.67
311.854.164.16
198.314.534.53
191.272.482.48
266.303.933.93
276.383.483.48
295.454.684.68
223.070.600.60
184.07-0.09-0.09
258.23-2.82-2.82
371.832.302.30
400.656.596.59
588.711.651.65
457.693.533.53
253.260.790.79
279.383.963.96
265.22-2.89-2.89
203.24-1.24-1.24
227.651.431.43
318.833.783.78
602.66
186.251.791.79
478.635.015.01
504.44-7.73-7.73
249.31-0.05-0.05
245.95
776.65-9.28-9.28
324.464.054.05
235.181.301.30
326.351.311.31
288.393.053.05
606.89
222.25-0.50-0.50
272.142.562.56
711.775.495.49
556.532.982.98
268.19-0.26-0.26
339.513.933.93
214.272.232.23
481.422.632.63
370.792.612.61
692.800.840.84
294.533.563.56
220.234.434.43
314.411.461.46
469.748.658.65
239.271.421.42
1039.25
348.454.254.25
454.706.436.43
280.291.361.36
326.824.004.00
328.504.124.12
755.31
312.453.883.88
816.945.085.08
1227.40
387.525.705.70
1056.402.752.75
411.474.634.63
531.53-4.44-4.44
405.976.566.56
1017.649.009.00
1356.40
1345.41
1390.73
563.676.126.12
331.471.321.32
389.430.710.71
1019.26
861.943.263.26
266.39
472.759.069.06
420.925.255.25
295.30-0.83-0.83
692.864.274.27
315.22-1.66-1.66
326.441.551.55
740.761.541.54