ID: ALA1697855
Type: ADME
Description: Literature-mined public compounds from Kruhlak et al phospholipidosis modelling dataset
Bioactivity
Activity Types for Assay ALA1697855
Phospholipidosis
Parent Molecular Weight | ALogP | Polar Surface Area |
---|---|---|
361.37 | 1.54 | 1.54 |
232.24 | 1.42 | 1.42 |
300.30 | -1.52 | -1.52 |
135.21 | 1.58 | 1.58 |
264.37 | 3.08 | 3.08 |
323.44 | 2.91 | 2.91 |
280.42 | 3.88 | 3.88 |
441.55 | 4.37 | 4.37 |
284.75 | 3.15 | 3.15 |
267.37 | 1.61 | 1.61 |
314.86 | 4.53 | 4.53 |
305.16 | 0.29 | 0.29 |
543.53 | 0.00 | 0.00 |
290.32 | 1.26 | 1.26 |
307.43 | 2.39 | 2.39 |
302.24 | 2.91 | 2.91 |
259.35 | 2.58 | 2.58 |
121.14 | 0.79 | 0.79 |
252.35 | 0.60 | 0.60 |
328.41 | 2.14 | 2.14 |
330.75 | 1.89 | 1.89 |
242.34 | 1.35 | 1.35 |
236.27 | 1.25 | 1.25 |
232.24 | 0.70 | 0.70 |
309.33 | 4.44 | 4.44 |
253.28 | 1.37 | 1.37 |
184.19 | 0.16 | 0.16 |
326.83 | 3.72 | 3.72 |
263.38 | 3.83 | 3.83 |
238.29 | 1.35 | 1.35 |
226.28 | 1.18 | 1.18 |
399.97 | 5.97 | 5.97 |
224.26 | 0.96 | 0.96 |
250.34 | 3.57 | 3.57 |
146.19 | -0.47 | -0.47 |
385.51 | 2.09 | 2.09 |
211.22 | 0.44 | 0.44 |
276.38 | 1.96 | 1.96 |
375.87 | 4.43 | 4.43 |
354.49 | 5.65 | 5.65 |
137.14 | -0.31 | -0.31 |
258.23 | 0.09 | 0.09 |
272.37 | 1.09 | 1.09 |
182.19 | 0.07 | 0.07 |
267.25 | -1.98 | -1.98 |
370.59 | 5.89 | 5.89 |
318.87 | 4.89 | 4.89 |
266.39 | 3.53 | 3.53 |
232.28 | 1.35 | 1.35 |
319.88 | 4.81 | 4.81 |
234.34 | 2.58 | 2.58 |
276.42 | 3.75 | 3.75 |
371.52 | 6.00 | 6.00 |
305.50 | 3.20 | 3.20 |
276.75 | 1.74 | 1.74 |
248.33 | 1.91 | 1.91 |
160.18 | 0.92 | 0.92 |
111.15 | -0.09 | -0.09 |
214.05 | 1.16 | 1.16 |
187.20 | 1.02 | 1.02 |
339.48 | 3.36 | 3.36 |
408.03 | 4.45 | 4.45 |
295.30 | 2.41 | 2.41 |
281.27 | 2.38 | 2.38 |
278.36 | 3.95 | 3.95 |
749.00 | 1.90 | 1.90 |
314.50 | 4.27 | 4.27 |
733.94 | 1.79 | 1.79 |
309.43 | 4.01 | 4.01 |
324.40 | 3.81 | 3.81 |
208.26 | 1.16 | 1.16 |
355.85 | 0.85 | 0.85 |
409.42 | 4.79 | 4.79 |
236.27 | 3.39 | 3.39 |
144.21 | 2.29 | 2.29 |
238.33 | 2.85 | 2.85 |
352.77 | 2.81 | 2.81 |
284.43 | 4.24 | 4.24 |
151.16 | 1.35 | 1.35 |
194.19 | -1.03 | -1.03 |
179.22 | 2.04 | 2.04 |
403.98 | 3.94 | 3.94 |
238.16 | 0.07 | 0.07 |
123.11 | 0.78 | 0.78 |
118.09 | -0.06 | -0.06 |
321.16 | 3.10 | 3.10 |
280.32 | 4.04 | 4.04 |
172.18 | 2.01 | 2.01 |
144.60 | 1.51 | 1.51 |
456.57 | 2.72 | 2.72 |
281.36 | 2.84 | 2.84 |
77.15 | -0.13 | -0.13 |
314.36 | 2.56 | 2.56 |
382.54 | 3.95 | 3.95 |
387.44 | 1.06 | 1.06 |
350.40 | 0.70 | 0.70 |
470.02 | 3.55 | 3.55 |
340.49 | 4.48 | 4.48 |
278.31 | 0.19 | 0.19 |
277.41 | 4.17 | 4.17 |
295.41 | 1.32 | 1.32 |
645.32 | 6.94 | 6.94 |
416.53 | 1.38 | 1.38 |
277.41 | 3.04 | 3.04 |
267.24 | -0.20 | -0.20 |
323.13 | 0.91 | 0.91 |
235.33 | 1.34 | 1.34 |
284.43 | 4.24 | 4.24 |
294.44 | 4.12 | 4.12 |
300.83 | 3.68 | 3.68 |
266.39 | 3.02 | 3.02 |
414.35 | 3.44 | 3.44 |
230.10 | 2.36 | 2.36 |
325.77 | 4.32 | 4.32 |
151.25 | 1.91 | 1.91 |
277.41 | 4.21 | 4.21 |
171.16 | 0.09 | 0.09 |
263.38 | 4.30 | 4.30 |
159.23 | 1.75 | 1.75 |
183.21 | 0.35 | 0.35 |
1297.30 | ||
244.29 | 2.67 | 2.67 |
281.23 | 4.15 | 4.15 |
261.37 | 3.92 | 3.92 |
329.49 | 5.43 | 5.43 |
296.41 | 3.61 | 3.61 |
92.09 | -1.67 | -1.67 |
143.14 | 0.37 | 0.37 |
290.40 | 0.27 | 0.27 |
347.46 | 3.60 | 3.60 |
412.95 | 3.81 | 3.81 |
222.24 | 2.85 | 2.85 |
229.26 | -0.59 | -0.59 |
312.44 | 3.44 | 3.44 |
108.14 | 1.18 | 1.18 |
261.23 | 1.45 | 1.45 |
274.40 | 3.49 | 3.49 |
290.45 | 3.67 | 3.67 |
198.31 | 0.74 | 0.74 |
295.38 | 1.53 | 1.53 |
75.07 | -0.97 | -0.97 |
169.18 | 0.30 | 0.30 |
199.16 | -1.10 | -1.10 |
327.47 | 3.37 | 3.37 |
612.63 | 3.63 | 3.63 |
303.36 | 2.06 | 2.06 |
190.21 | -0.96 | -0.96 |
243.22 | -2.56 | -2.56 |
179.31 | 2.69 | 2.69 |
306.24 | 5.18 | 5.18 |
238.25 | -1.19 | -1.19 |
317.23 | 3.84 | 3.84 |
424.52 | 4.74 | 4.74 |
318.34 | 3.20 | 3.20 |
354.49 | 3.04 | 3.04 |
291.44 | 4.88 | 4.88 |
481.43 | 3.18 | 3.18 |
327.81 | 3.77 | 3.77 |
263.79 | 3.96 | 3.96 |
546.59 | -1.30 | -1.30 |
295.73 | -0.06 | -0.06 |
416.65 | 5.70 | 5.70 |
279.34 | 1.81 | 1.81 |
305.21 | 1.93 | 1.93 |
278.40 | 3.92 | 3.92 |
290.79 | 3.40 | 3.40 |
588.56 | 1.34 | 1.34 |
410.56 | 4.34 | 4.34 |
810.99 | 3.99 | 3.99 |
321.34 | 0.54 | 0.54 |
480.65 | 4.94 | 4.94 |
374.91 | 3.06 | 3.06 |
285.37 | 2.20 | 2.20 |
543.53 | 0.00 | 0.00 |
269.35 | 1.91 | 1.91 |
449.55 | -3.98 | -3.98 |
246.19 | -1.68 | -1.68 |
178.19 | 0.42 | 0.42 |
554.59 | -1.20 | -1.20 |
271.40 | 3.33 | 3.33 |
131.17 | 0.44 | 0.44 |
226.28 | 2.64 | 2.64 |
309.45 | 4.19 | 4.19 |
361.40 | 4.11 | 4.11 |
270.21 | 3.25 | 3.25 |
310.34 | 0.88 | 0.88 |
149.28 | 1.54 | 1.54 |
301.34 | 0.75 | 0.75 |
387.89 | 4.00 | 4.00 |
352.74 | 4.09 | 4.09 |
187.29 | 2.18 | 2.18 |
160.24 | 0.64 | 0.64 |
248.33 | 1.69 | 1.69 |
271.79 | 2.78 | 2.78 |
343.88 | 4.13 | 4.13 |
318.33 | 3.56 | 3.56 |
286.46 | 5.51 | 5.51 |
382.89 | 4.89 | 4.89 |
270.38 | 2.92 | 2.92 |
366.55 | 4.83 | 4.83 |
186.26 | 1.00 | 1.00 |
150.18 | 1.98 | 1.98 |
277.50 | 5.30 | 5.30 |
375.56 | 5.04 | 5.04 |
286.81 | 3.33 | 3.33 |
564.68 | 4.41 | 4.41 |
380.66 | 0.82 | 0.82 |
370.92 | 4.79 | 4.79 |
231.26 | 3.25 | 3.25 |
427.53 | 4.11 | 4.11 |
253.72 | 1.72 | 1.72 |
365.41 | 0.02 | 0.02 |
411.57 | 3.49 | 3.49 |
386.59 | 4.90 | 4.90 |
143.23 | 1.69 | 1.69 |
212.32 | 1.30 | 1.30 |
157.17 | 0.76 | 0.76 |
500.43 | 8.64 | 8.64 |
334.42 | 2.30 | 2.30 |
497.50 | 1.02 | 1.02 |
118.16 | -0.22 | -0.22 |
418.30 | 3.52 | 3.52 |
352.47 | 3.41 | 3.41 |
152.15 | 1.18 | 1.18 |
161.20 | -1.81 | -1.81 |
404.93 | 4.75 | 4.75 |
498.58 | 2.58 | 2.58 |
332.35 | -2.93 | -2.93 |
89.14 | -0.28 | -0.28 |
240.35 | 3.17 | 3.17 |
443.64 | 3.47 | 3.47 |
284.45 | 4.25 | 4.25 |
312.48 | 5.02 | 5.02 |
448.40 | 4.73 | 4.73 |
255.37 | 2.65 | 2.65 |
213.24 | 2.66 | 2.66 |
364.44 | 5.30 | 5.30 |
374.91 | 4.04 | 4.04 |
264.33 | 2.43 | 2.43 |
652.83 | 7.45 | 7.45 |
172.07 | -1.55 | -1.55 |
133.17 | -0.27 | -0.27 |
128.16 | 0.43 | 0.43 |
170.21 | -0.13 | -0.13 |
378.11 | 3.19 | 3.19 |
473.41 | 7.49 | 7.49 |
536.89 | 12.61 | 12.61 |
324.42 | 3.17 | 3.17 |
258.23 | 2.31 | 2.31 |
242.27 | 3.67 | 3.67 |
531.44 | 4.21 | 4.21 |
280.33 | 2.13 | 2.13 |
265.36 | 2.69 | 2.69 |
191.14 | -1.28 | -1.28 |
163.20 | -0.49 | -0.49 |
279.38 | 2.98 | 2.98 |
268.32 | 2.00 | 2.00 |
273.24 | 2.55 | 2.55 |
313.31 | 2.79 | 2.79 |
175.24 | 0.94 | 0.94 |
255.27 | 2.97 | 2.97 |
929.16 | 8.07 | 8.07 |
614.65 | -8.90 | -8.90 |
363.50 | 3.31 | 3.31 |
438.01 | 5.85 | 5.85 |
273.36 | 2.01 | 2.01 |
387.48 | 3.74 | 3.74 |
483.52 | -7.33 | -7.33 |
180.20 | 1.96 | 1.96 |
585.61 | -8.42 | -8.42 |
581.58 | -8.16 | -8.16 |
323.42 | 1.63 | 1.63 |
165.24 | 1.33 | 1.33 |
152.18 | 0.64 | 0.64 |
418.45 | 2.97 | 2.97 |
130.08 | -0.80 | -0.80 |
463.58 | -3.59 | -3.59 |
129.17 | -1.03 | -1.03 |
761.78 | -10.01 | -10.01 |
453.88 | 2.69 | 2.69 |
484.50 | -7.29 | -7.29 |
444.44 | -0.21 | -0.21 |
440.42 | 0.24 | 0.24 |
334.42 | 2.09 | 2.09 |
135.13 | -0.11 | -0.11 |
204.30 | 2.15 | 2.15 |
129.09 | -0.51 | -0.51 |
308.33 | 3.61 | 3.61 |
136.11 | 0.06 | 0.06 |
179.20 | -0.78 | -0.78 |
753.94 | 2.73 | 2.73 |
265.34 | 3.24 | 3.24 |
376.14 | 4.56 | 4.56 |
391.47 | 4.41 | 4.41 |
345.42 | 2.90 | 2.90 |
353.51 | 4.65 | 4.65 |
530.66 | 3.01 | 3.01 |
430.55 | 2.77 | 2.77 |
289.74 | 0.88 | 0.88 |
376.37 | -1.72 | -1.72 |
310.34 | 0.88 | 0.88 |
453.46 | -0.54 | -0.54 |
478.89 | 0.44 | 0.44 |
477.60 | -3.33 | -3.33 |
289.38 | 1.93 | 1.93 |
475.59 | -3.20 | -3.20 |
149.24 | 1.97 | 1.97 |
311.41 | 1.90 | 1.90 |
307.97 | -0.78 | -0.78 |
360.37 | 2.57 | 2.57 |
362.35 | 3.52 | 3.52 |
368.47 | 1.94 | 1.94 |
371.30 | -1.74 | -1.74 |
165.24 | 1.33 | 1.33 |
438.52 | 2.57 | 2.57 |
268.27 | -2.71 | -2.71 |
219.24 | -1.04 | -1.04 |
271.34 | 1.06 | 1.06 |
575.63 | -1.40 | -1.40 |
322.40 | 3.29 | 3.29 |
441.40 | -0.04 | -0.04 |
194.27 | 3.22 | 3.22 |
392.33 | 5.18 | 5.18 |
460.52 | 1.97 | 1.97 |
862.75 | -1.10 | -1.10 |
584.67 | 4.53 | 4.53 |
244.21 | -3.01 | -3.01 |
405.97 | 6.22 | 6.22 |
150.13 | -2.58 | -2.58 |
182.17 | -3.59 | -3.59 |
421.42 | 1.63 | 1.63 |
420.35 | 2.70 | 2.70 |
539.59 | -0.23 | -0.23 |
451.52 | -5.27 | -5.27 |
627.94 | 3.14 | 3.14 |
289.16 | 3.59 | 3.59 |
747.96 | 2.44 | 2.44 |
794.04 | 5.10 | 5.10 |
191.27 | 2.08 | 2.08 |
467.52 | -6.30 | -6.30 |
780.95 | 2.22 | 2.22 |
254.25 | -2.21 | -2.21 |
424.99 | 0.39 | 0.39 |
225.29 | 1.52 | 1.52 |
331.30 | 0.01 | 0.01 |
245.37 | 3.30 | 3.30 |
221.26 | 1.79 | 1.79 |
365.21 | -1.72 | -1.72 |
414.37 | 3.05 | 3.05 |
225.29 | 1.13 | 1.13 |
1139.76 | ||
301.39 | 2.87 | 2.87 |
306.45 | 3.54 | 3.54 |
434.50 | 2.47 | 2.47 |
372.51 | 4.27 | 4.27 |
90.08 | -0.55 | -0.55 |
214.05 | 3.25 | 3.25 |
288.48 | 5.09 | 5.09 |
1736.18 | ||
665.73 | 0.12 | 0.12 |
960.82 | 6.67 | 6.67 |
183.25 | 1.13 | 1.13 |
434.53 | 1.80 | 1.80 |
370.29 | 2.03 | 2.03 |
591.78 | 8.00 | 8.00 |
549.70 | 6.83 | 6.83 |
405.43 | -0.01 | -0.01 |
436.57 | 3.29 | 3.29 |
891.54 | 5.45 | 5.45 |
360.54 | 5.17 | 5.17 |
389.48 | 1.41 | 1.41 |
241.24 | 0.53 | 0.53 |
340.46 | 4.06 | 4.06 |
372.46 | 2.01 | 2.01 |
307.44 | 4.42 | 4.42 |
340.49 | 4.83 | 4.83 |
353.53 | 4.11 | 4.11 |
627.94 | 2.79 | 2.79 |
597.96 | 3.74 | 3.74 |
404.51 | 2.42 | 2.42 |
177.25 | 0.98 | 0.98 |
183.68 | 2.62 | 2.62 |
433.04 | 6.54 | 6.54 |
613.91 | 2.52 | 2.52 |
753.00 | 8.71 | 8.71 |
317.50 | 2.85 | 2.85 |
556.86 | 3.16 | 3.16 |
352.48 | 3.41 | 3.41 |
456.35 | -1.61 | -1.61 |
339.48 | 4.28 | 4.28 |
360.77 | 3.20 | 3.20 |
316.19 | 2.11 | 2.11 |
180.16 | -3.83 | -3.83 |
356.23 | 0.40 | 0.40 |
263.38 | 2.63 | 2.63 |
1106.14 | ||
342.86 | 4.20 | 4.20 |
294.44 | 4.42 | 4.42 |
434.37 | 3.09 | 3.09 |
261.39 | 2.71 | 2.71 |
225.20 | -1.63 | -1.63 |
300.44 | 4.05 | 4.05 |
327.49 | 4.42 | 4.42 |
320.39 | 3.95 | 3.95 |
255.79 | 2.83 | 2.83 |
330.47 | 4.45 | 4.45 |
276.38 | 3.48 | 3.48 |
446.04 | 4.99 | 4.99 |
314.86 | 4.07 | 4.07 |
280.31 | 0.87 | 0.87 |
266.26 | -1.19 | -1.19 |
300.36 | 2.06 | 2.06 |
332.41 | 2.26 | 2.26 |
364.42 | 1.09 | 1.09 |
311.86 | 4.82 | 4.82 |
335.37 | 4.85 | 4.85 |
381.52 | 5.78 | 5.78 |
300.83 | 4.87 | 4.87 |
472.51 | -1.76 | -1.76 |
329.84 | 2.68 | 2.68 |
309.84 | 5.21 | 5.21 |
388.64 | 4.56 | 4.56 |
468.73 | 6.82 | 6.82 |
371.94 | 5.47 | 5.47 |
533.56 | -0.56 | -0.56 |
245.33 | 2.62 | 2.62 |
443.54 | ||
489.47 | 3.42 | 3.42 |
465.43 | 3.08 | 3.08 |
437.42 | 3.29 | 3.29 |
388.77 | 5.25 | 5.25 |
255.75 | 3.41 | 3.41 |
237.65 | 1.23 | 1.23 |
777.05 | 2.58 | 2.58 |
294.40 | 3.12 | 3.12 |
402.44 | 3.93 | 3.93 |
504.60 | 3.67 | 3.67 |
384.52 | 5.18 | 5.18 |
440.67 | 7.69 | 7.69 |
608.61 | 6.22 | 6.22 |
294.78 | 4.44 | 4.44 |
316.45 | 4.05 | 4.05 |
409.60 | 4.91 | 4.91 |
237.10 | 1.13 | 1.13 |
440.49 | -0.94 | -0.94 |
362.90 | 4.18 | 4.18 |
327.81 | 2.91 | 2.91 |
392.88 | 1.90 | 1.90 |
183.68 | 2.62 | 2.62 |
519.04 | ||
604.35 | 5.40 | 5.40 |
376.82 | 2.35 | 2.35 |
401.89 | 2.88 | 2.88 |
309.35 | 1.30 | 1.30 |
154.22 | 0.56 | 0.56 |
254.05 | 1.04 | 1.04 |
141.26 | 2.34 | 2.34 |
286.37 | 4.45 | 4.45 |
794.98 | 2.87 | 2.87 |
600.54 | 1.82 | 1.82 |
302.46 | 4.27 | 4.27 |
412.32 | 1.45 | 1.45 |
486.61 | 3.87 | 3.87 |
311.86 | 5.06 | 5.06 |
413.28 | -0.09 | -0.09 |
446.02 | 4.51 | 4.51 |
282.76 | 1.82 | 1.82 |
281.31 | 1.18 | 1.18 |
645.67 | 2.25 | 2.25 |
257.31 | 2.82 | 2.82 |
828.01 | 3.16 | 3.16 |
342.30 | -5.40 | -5.40 |
236.23 | -1.29 | -1.29 |
391.39 | 5.68 | 5.68 |
237.29 | -0.86 | -0.86 |
337.46 | 4.24 | 4.24 |
190.28 | 1.70 | 1.70 |
300.49 | 5.26 | 5.26 |
505.47 | 3.52 | 3.52 |
563.67 | 6.12 | 6.12 |
685.70 | -8.88 | -8.88 |
530.88 | 3.23 | 3.23 |
740.76 | 1.54 | 1.54 |