Assay Report Card

Basic Information

ID: ALA1909133

Type: Binding

Description: DRUGMATRIX: CYP450, 2A6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)

Cell type: BTI-TN-5B1-4

Activity Charts

Compound Summary

Parent Molecular WeightALogPPolar Surface Area
383.411.781.78
162.241.851.85
361.371.541.54
357.793.933.93
233.24-0.79-0.79
300.30-1.52-1.52
369.341.701.70
331.351.581.58
319.341.271.27
377.444.684.68
264.373.083.08
365.842.082.08
303.291.771.77
441.554.374.37
284.753.153.15
267.371.611.61
268.364.834.83
182.65-0.21-0.21
252.271.771.77
914.196.186.18
804.034.644.64
314.864.534.53
216.192.552.55
543.530.000.00
222.25-0.86-0.86
172.21-0.08-0.08
231.091.811.81
454.615.095.09
398.403.703.70
146.141.791.79
414.533.373.37
266.340.450.45
180.161.311.31
407.514.954.95
341.430.560.56
138.121.091.09
259.352.582.58
333.453.933.93
334.400.860.86
416.361.891.89
252.350.600.60
375.401.981.98
328.412.142.14
211.261.131.13
297.75-0.35-0.35
330.751.891.89
255.321.531.53
264.311.171.17
250.280.860.86
581.671.991.99
300.445.605.60
232.240.700.70
309.334.444.44
253.281.371.37
326.833.723.72
263.383.833.83
278.341.481.48
238.291.351.35
399.975.975.97
226.281.181.18
299.762.952.95
315.723.043.04
267.311.671.67
303.143.613.61
270.242.582.58
394.423.703.70
331.183.753.75
250.343.573.57
232.281.861.86
293.373.133.13
430.728.848.84
385.512.092.09
211.220.440.44
375.874.434.43
340.432.882.88
266.302.652.65
444.49-0.14-0.14
341.430.560.56
76.05-0.96-0.96
414.412.412.41
137.14-0.31-0.31
258.230.090.09
255.272.292.29
348.362.082.08
73.10-0.30-0.30
272.371.091.09
151.161.351.35
301.333.033.03
494.013.643.64
182.190.070.07
370.595.895.89
369.373.523.52
586.694.094.09
318.874.894.89
266.393.533.53
232.281.351.35
329.373.333.33
234.342.582.58
327.381.301.30
473.596.086.08
371.526.006.00
654.613.193.19
421.451.851.85
410.493.593.59
468.372.112.11
299.802.002.00
853.923.743.74
406.916.616.61
261.091.881.88
276.751.741.74
316.430.500.50
248.331.911.91
300.05
160.180.920.92
924.090.710.71
416.136.456.45
236.302.732.73
275.351.771.77
198.272.702.70
371.823.103.10
404.554.204.20
78.14-0.01-0.01
259.352.582.58
663.087.127.12
259.352.782.78
296.154.744.74
285.392.662.66
214.051.161.16
247.732.502.50
233.702.252.25
304.223.383.38
287.414.704.70
187.201.021.02
333.361.611.61
186.17-0.36-0.36
206.283.073.07
295.302.412.41
281.272.382.38
178.273.643.64
331.351.581.58
308.383.793.79
749.001.901.90
314.504.274.27
733.941.791.79
314.474.724.72
309.434.014.01
122.121.381.38
158.201.931.93
163.391.441.44
94.111.391.39
344.855.385.38
334.33-1.65-1.65
46.070.000.00
306.280.740.74
300.445.605.60
324.403.813.81
399.442.872.87
236.273.393.39
354.452.652.65
144.212.292.29
417.392.902.90
404.352.042.04
359.402.322.32
179.262.032.03
351.351.801.80
352.772.812.81
244.263.683.68
284.434.244.24
242.703.063.06
151.161.351.35
194.19-1.03-1.03
179.222.042.04
403.983.943.94
356.424.374.37
236.311.771.77
254.293.113.11
238.160.070.07
157.012.452.45
123.110.780.78
165.191.451.45
376.451.601.60
321.163.103.10
359.402.282.28
670.863.093.09
613.802.872.87
567.804.754.75
505.642.402.40
253.270.830.83
381.383.513.51
471.696.456.45
356.453.163.16
357.442.492.49
281.362.842.84
351.411.951.95
278.352.102.10
341.411.531.53
575.695.705.70
340.425.355.35
314.362.562.56
241.680.820.82
339.393.863.86
403.534.064.06
516.869.919.91
246.312.792.79
387.441.061.06
123.11-0.42-0.42
200.17-0.02-0.02
383.47-0.31-0.31
371.872.362.36
287.363.383.38
201.252.692.69
188.231.481.48
278.310.190.19
277.414.174.17
449.924.934.93
295.411.321.32
341.453.243.24
392.471.901.90
645.326.946.94
358.431.771.77
277.413.043.04
267.24-0.20-0.20
323.130.910.91
235.331.341.34
336.432.372.37
284.434.244.24
360.451.561.56
266.393.023.02
374.481.801.80
230.102.362.36
272.393.613.61
255.363.353.35
287.361.851.85
151.251.911.91
308.773.583.58
277.414.214.21
126.00-0.16-0.16
171.160.090.09
360.844.684.68
183.210.350.35
214.652.582.58
295.302.972.97
296.154.364.36
241.293.753.75
182.17-3.59-3.59
296.413.613.61
143.140.370.37
141.170.450.45
264.372.622.62
136.200.840.84
154.252.672.67
213.661.861.86
517.56-0.24-0.24
139.63
451.481.721.72
372.553.813.81
222.242.852.85
252.272.862.86
229.26-0.59-0.59
239.311.311.31
312.443.443.44
383.522.862.86
386.534.664.66
290.453.963.96
110.111.101.10
137.140.490.49
108.141.181.18
406.483.743.74
437.534.314.31
167.200.600.60
373.954.584.58
272.304.614.61
272.304.614.61
256.102.012.01
404.505.395.39
237.732.902.90
234.202.782.78
172.620.320.32
376.505.125.12
271.281.501.50
308.380.530.53
274.403.493.49
260.382.852.85
76.10-0.64-0.64
198.310.740.74
295.381.531.53
252.325.745.74
321.976.206.20
608.694.174.17
75.07-0.97-0.97
356.065.865.86
317.433.263.26
194.191.501.50
586.208.958.95
354.10-1.22-1.22
454.450.270.27
331.340.880.88
342.443.483.48
369.473.463.46
209.25-0.13-0.13
230.263.043.04
243.22-2.56-2.56
299.363.893.89
276.213.213.21
381.695.805.80
219.241.461.46
306.245.185.18
142.16-0.91-0.91
312.422.322.32
311.411.771.77
246.31-0.28-0.28
291.444.884.88
75.140.910.91
320.320.660.66
361.833.553.55
199.283.893.89
238.293.003.00
385.372.382.38
268.365.555.55
404.493.803.80
263.793.963.96
174.201.801.80
435.44-1.17-1.17
424.502.572.57
477.055.095.09
164.202.132.13
292.141.761.76
323.813.673.67
315.352.912.91
392.412.082.08
305.211.931.93
458.585.355.35
218.260.540.54
246.101.551.55
292.29-0.06-0.06
368.525.115.11
314.372.962.96
204.31-0.29-0.29
133.412.032.03
153.822.552.55
119.381.991.99
320.342.732.73
588.561.341.34
531.602.192.19
195.222.682.68
196.200.640.64
1449.27
249.10-1.27-1.27
206.03-0.99-0.99
810.993.993.99
1202.63
157.210.840.84
365.842.712.71
321.340.540.54
277.193.003.00
263.20-1.29-1.29
435.892.552.55
239.753.303.30
480.654.944.94
357.451.711.71
271.403.383.38
285.372.202.20
250.203.043.04
269.393.663.66
337.46-0.77-0.77
543.530.000.00
303.201.941.94
501.675.515.51
132.161.901.90
1229.32
246.19-1.68-1.68
178.190.420.42
283.11-0.37-0.37
301.392.962.96
390.523.953.95
308.312.762.76
504.64-0.02-0.02
226.282.642.64
309.454.194.19
720.965.915.91
171.241.371.37
351.025.265.26
493.624.594.59
284.362.952.95
361.404.114.11
319.412.922.92
229.63-1.08-1.08
305.423.793.79
405.976.566.56
179.312.552.55
270.213.253.25
310.340.880.88
421.903.093.09
296.553.623.62
187.292.182.18
164.18-0.20-0.20
282.223.543.54
705.655.585.58
407.994.464.46
312.412.532.53
198.220.430.43
361.310.270.27
430.382.882.88
228.252.972.97
452.492.372.37
317.485.775.77
224.22-0.71-0.71
382.894.894.89
469.677.227.22
139.150.400.40
337.381.641.64
214.23-0.25-0.25
197.190.050.05
346.11
425.404.564.56
440.464.034.03
254.293.113.11
257.292.192.19
277.505.305.30
288.311.111.11
261.091.881.88
126.110.800.80
186.171.531.53
384.657.627.62
131.180.590.59
211.273.153.15
136.150.370.37
145.161.941.94
328.431.171.17
307.424.954.95
223.273.223.22
380.660.820.82
338.770.920.92
198.272.442.44
290.453.963.96
110.13-0.41-0.41
330.473.843.84
418.574.594.59
353.471.941.94
252.272.642.64
435.534.164.16
268.741.401.40
228.293.373.37
293.324.034.03
396.953.153.15
445.552.082.08
334.172.892.89
824.973.523.52
365.410.020.02
246.352.732.73
136.200.690.69
354.193.913.91
179.220.720.72
225.160.970.97
216.242.482.48
212.252.982.98
379.443.683.68
314.372.262.26
294.362.412.41
334.422.302.30
313.793.433.43
228.293.423.42
307.353.303.30
497.501.021.02
169.07-1.20-1.20
309.494.404.40
134.140.150.15
246.19-1.69-1.69
284.312.902.90
122.130.180.18
152.151.181.18
152.151.181.18
424.532.442.44
327.343.053.05
348.432.532.53
161.20-1.81-1.81
404.934.754.75
334.353.973.97
298.433.493.49
332.35-2.93-2.93
416.522.382.38
248.331.911.91
153.140.670.67
310.834.024.02
176.180.600.60
436.275.495.49
384.456.466.46
325.411.531.53
281.351.041.04
270.341.231.23
212.211.311.31
220.322.322.32
294.392.562.56
293.412.972.97
193.252.232.23
301.734.344.34
359.452.992.99
247.280.530.53
397.766.526.52
206.332.792.79
261.92
357.493.343.34
520.724.214.21
405.501.241.24
276.321.391.39
416.954.614.61
265.310.500.50
192.12-1.25-1.25
429.136.126.12
395.27
495.584.944.94
240.312.822.82
220.364.694.69
378.113.193.19
361.394.424.42
380.494.474.47
258.232.312.31
242.273.673.67
531.444.214.21
532.474.464.46
357.392.072.07
82.110.720.72
96.941.941.94
338.462.842.84
221.301.051.05
280.324.254.25
102.141.011.01
220.982.682.68
332.313.973.97
324.34-0.80-0.80
371.25
183.91
349.410.320.32
678.49
614.65-8.90-8.90
430.542.722.72
415.833.473.47
169.571.771.77
307.392.772.77
612.64-3.88-3.88
273.362.012.01
206.283.073.07
206.283.073.07
413.432.882.88
484.50-7.29-7.29
300.05
288.392.582.58
206.334.304.30
200.242.972.97
344.504.084.08
416.584.854.85
302.464.274.27
585.61-8.42-8.42
581.58-8.16-8.16
527.531.031.03
293.372.932.93
266.341.121.12
258.230.090.09
270.373.823.82
408.583.453.45
323.421.631.63
822.942.252.25
207.272.442.44
548.633.483.48
279.864.744.74
288.433.883.88
152.180.640.64
425.923.353.35
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
448.096.076.07
130.08-0.80-0.80
149.210.110.11
129.17-1.03-1.03
447.53-3.85-3.85
444.44-0.35-0.35
584.66-1.51-1.51
444.44-0.21-0.21
440.420.240.24
362.471.781.78
424.095.465.46
285.312.662.66
334.422.092.09
406.55-0.86-0.86
211.221.621.62
394.440.620.62
180.17-1.04-1.04
204.302.152.15
162.192.142.14
210.280.070.07
433.502.522.52
236.23-0.21-0.21
129.09-0.51-0.51
308.333.613.61
336.302.902.90
58.080.160.16
1134.99
1281.13
136.110.060.06
310.474.634.63
847.024.624.62
753.942.732.73
228.253.463.46
459.564.884.88
337.464.224.22
384.263.963.96
490.633.073.07
297.373.923.92
265.343.243.24
312.453.883.88
198.18-1.03-1.03
422.924.274.27
474.591.611.61
558.656.316.31
244.21-3.17-3.17
301.474.334.33
408.882.272.27
376.144.564.56
391.474.414.41
338.443.463.46
245.19-3.46-3.46
156.612.662.66
360.451.991.99
764.953.253.25
494.532.942.94
76.05-0.94-0.94
346.342.182.18
383.382.882.88
345.422.902.90
434.502.422.42
434.502.272.27
428.544.784.78
114.170.710.71
460.44-1.24-1.24
170.241.381.38
530.663.013.01
305.342.642.64
231.263.253.25
335.883.783.78
396.667.647.64
461.500.090.09
310.340.880.88
253.26-0.90-0.90
277.271.151.15
650.983.953.95
390.566.436.43
478.890.440.44
249.342.802.80
1255.44
176.12-1.41-1.41
926.110.940.94
217.290.630.63
152.242.402.40
289.381.931.93
404.82
645.61-8.56-8.56
471.52-0.79-0.79
333.350.770.77
372.424.034.03
285.24-1.84-1.84
89.090.100.10
475.59-3.20-3.20
108.140.970.97
455.554.404.40
360.372.572.57
371.30-1.74-1.74
367.452.232.23
408.922.172.17
438.522.572.57
259.352.582.58
257.260.810.81
457.43-3.11-3.11
309.410.630.63
341.832.372.37
811.883.163.16
1701.21
62.07-1.03-1.03
250.251.721.72
285.69-0.30-0.30
343.905.105.10
332.505.715.71
164.202.432.43
170.160.340.34
803.001.671.67
154.252.742.74
244.21-3.01-3.01
402.492.562.56
257.161.001.00
877.045.655.65
185.180.480.48
320.055.935.93
248.322.762.76
473.45-0.73-0.73
365.211.471.47
186.241.561.56
645.206.706.70
388.423.203.20
347.400.440.44
465.953.363.36
455.47-0.62-0.62
583.692.082.08
778.954.754.75
258.230.090.09
247.342.172.17
289.163.593.59
747.962.442.44
298.382.842.84
282.342.392.39
467.52-6.30-6.30
1541.55
780.952.222.22
254.25-2.21-2.21
424.990.390.39
378.523.173.17
225.291.521.52
192.261.591.59
337.575.565.56
376.472.782.78
321.833.673.67
245.373.303.30
173.13-1.76-1.76
466.984.104.10
121.14-2.34-2.34
324.903.903.90
469.97
742.79
158.36
494.532.992.99
1422.72
90.08-0.55-0.55
332.484.404.40
376.472.922.92
284.362.212.21
288.485.095.09
384.524.434.43
637.745.975.97
1736.18
665.730.120.12
136.30
125.84
203.282.922.92
244.25-0.05-0.05
454.973.893.89
195.220.740.74
891.545.455.45
422.492.442.44
436.522.502.50
398.301.061.06
241.240.530.53
384.524.584.58
340.464.064.06
310.443.923.92
288.443.903.90
471.55-0.73-0.73
307.444.424.42
472.452.012.01
325.462.292.29
613.913.123.12
291.392.332.33
357.322.712.71
274.803.823.82
339.441.921.92
751.016.196.19
837.062.212.21
559.801.751.75
170.232.162.16
972.85-13.05-13.05
166.19-0.39-0.39
193.200.890.89
183.180.780.78
356.230.400.40
263.382.632.63
32.05-1.18-1.18
286.403.703.70
707.852.722.72
242.322.002.00
270.31-1.27-1.27
429.605.415.41
356.261.891.89
263.04
260.345.175.17
293.414.874.87
420.43-1.04-1.04
252.325.745.74
205.25-1.14-1.14
185.253.573.57
561.682.042.04
341.504.264.26
575.712.432.43
261.392.712.71
313.293.113.11
183.32
230.50
276.383.483.48
218.210.040.04
223.070.600.60
266.26-1.19-1.19
447.472.562.56
294.351.191.19
257.22-1.45-1.45
349.821.521.52
400.656.596.59
123.151.281.28
285.273.823.82
650.783.283.28
279.383.963.96
624.875.465.46
265.443.733.73
265.22-2.89-2.89
312.282.282.28
372.172.012.01
314.411.461.46
380.914.484.48
213.712.372.37
259.393.553.55
320.763.253.25
234.392.352.35
313.834.434.43
309.413.793.79
293.414.094.09
347.384.804.80
129.84
257.15
79.55
325.29
443.38
917.144.324.32
310.394.404.40
401.964.534.53
448.403.493.49
270.381.211.21
129.91
156.71
266.62
233.04
328.504.124.12
312.453.883.88
934.174.324.32
785.972.442.44
386.373.853.85
312.453.883.88
790.002.752.75
411.474.634.63
2296.97
152.242.402.40
1767.46
1390.73
405.50-3.59-3.59
331.471.321.32
1732.15
1019.26
861.943.263.26
1495.48
645.750.650.65
326.441.551.55
740.761.541.54