Basic Information
ID: ALA5303649
Type: ADME
Description: The drug is tested on Akkermansia muciniphila strain: ATCC BAA-835 for biotransformation. The drug concentrations were measured before and after a 12-h incubation by liquid-chromatography-coupled mass spectrometry (LC–MS)
Organism: Akkermansia muciniphila
Strain: ATCC BAA-835
Activity Charts
Bioactivity
Activity Types for Assay ALA5303649
Biotransformation
Compound Summary
| Parent Molecular Weight | ALogP | Polar Surface Area |
|---|---|---|
| 383.41 | 1.78 | 1.78 |
| 357.79 | 3.93 | 3.93 |
| 264.37 | 3.08 | 3.08 |
| 365.84 | 2.08 | 2.08 |
| 430.38 | 2.88 | 2.88 |
| 258.32 | 1.34 | 1.34 |
| 454.61 | 5.09 | 5.09 |
| 266.34 | 0.45 | 0.45 |
| 307.43 | 2.39 | 2.39 |
| 252.35 | 0.60 | 0.60 |
| 328.41 | 2.14 | 2.14 |
| 309.33 | 4.44 | 4.44 |
| 326.83 | 3.72 | 3.72 |
| 399.97 | 5.97 | 5.97 |
| 305.21 | 1.93 | 1.93 |
| 284.36 | 2.95 | 2.95 |
| 385.51 | 2.09 | 2.09 |
| 267.33 | 2.85 | 2.85 |
| 375.87 | 4.43 | 4.43 |
| 266.30 | 2.65 | 2.65 |
| 395.48 | 3.22 | 3.22 |
| 272.37 | 1.09 | 1.09 |
| 232.28 | 1.35 | 1.35 |
| 410.49 | 3.59 | 3.59 |
| 399.44 | 2.87 | 2.87 |
| 261.09 | 1.88 | 1.88 |
| 259.35 | 2.78 | 2.78 |
| 353.47 | 1.94 | 1.94 |
| 339.48 | 3.36 | 3.36 |
| 230.26 | 3.04 | 3.04 |
| 309.43 | 4.01 | 4.01 |
| 306.28 | 0.74 | 0.74 |
| 324.40 | 3.81 | 3.81 |
| 324.42 | 3.17 | 3.17 |
| 179.22 | 2.04 | 2.04 |
| 260.38 | 2.85 | 2.85 |
| 357.44 | 2.49 | 2.49 |
| 259.14 | 2.76 | 2.76 |
| 387.44 | 1.06 | 1.06 |
| 764.95 | 3.25 | 3.25 |
| 780.95 | 2.22 | 2.22 |
| 352.45 | 2.70 | 2.70 |
| 371.87 | 2.36 | 2.36 |
| 287.36 | 3.38 | 3.38 |
| 470.02 | 3.55 | 3.55 |
| 201.25 | 2.69 | 2.69 |
| 278.31 | 0.19 | 0.19 |
| 295.41 | 1.32 | 1.32 |
| 277.41 | 3.04 | 3.04 |
| 336.43 | 2.37 | 2.37 |
| 284.43 | 4.24 | 4.24 |
| 294.44 | 4.12 | 4.12 |
| 230.10 | 2.36 | 2.36 |
| 151.25 | 1.91 | 1.91 |
| 295.30 | 2.97 | 2.97 |
| 430.55 | 2.77 | 2.77 |
| 376.45 | 1.60 | 1.60 |
| 451.48 | 1.72 | 1.72 |
| 412.95 | 3.81 | 3.81 |
| 389.46 | 1.35 | 1.35 |
| 312.44 | 3.44 | 3.44 |
| 383.52 | 2.86 | 2.86 |
| 406.48 | 3.74 | 3.74 |
| 437.53 | 4.31 | 4.31 |
| 256.10 | 2.01 | 2.01 |
| 234.20 | 2.78 | 2.78 |
| 233.31 | 2.09 | 2.09 |
| 179.31 | 2.69 | 2.69 |
| 361.83 | 3.55 | 3.55 |
| 327.81 | 3.77 | 3.77 |
| 404.49 | 3.80 | 3.80 |
| 290.79 | 3.40 | 3.40 |
| 348.44 | 2.12 | 2.12 |
| 365.84 | 2.71 | 2.71 |
| 321.34 | 0.54 | 0.54 |
| 277.19 | 3.00 | 3.00 |
| 239.75 | 3.30 | 3.30 |
| 269.35 | 1.91 | 1.91 |
| 307.40 | 3.25 | 3.25 |
| 501.67 | 5.51 | 5.51 |
| 504.64 | -0.02 | -0.02 |
| 493.62 | 4.59 | 4.59 |
| 361.40 | 4.11 | 4.11 |
| 290.41 | 3.71 | 3.71 |
| 286.34 | 1.09 | 1.09 |
| 349.32 | 2.18 | 2.18 |
| 705.65 | 5.58 | 5.58 |
| 388.90 | 3.15 | 3.15 |
| 270.38 | 2.92 | 2.92 |
| 337.38 | 1.64 | 1.64 |
| 421.45 | 1.85 | 1.85 |
| 514.63 | 7.26 | 7.26 |
| 333.47 | 3.40 | 3.40 |
| 372.55 | 3.81 | 3.81 |
| 328.43 | 1.17 | 1.17 |
| 252.27 | 2.64 | 2.64 |
| 445.55 | 2.08 | 2.08 |
| 277.37 | 1.72 | 1.72 |
| 311.47 | 3.96 | 3.96 |
| 356.56 | 4.40 | 4.40 |
| 263.38 | 2.73 | 2.73 |
| 853.92 | 3.74 | 3.74 |
| 414.53 | 3.37 | 3.37 |
| 467.65 | 3.24 | 3.24 |
| 397.48 | 4.34 | 4.34 |
| 312.48 | 5.02 | 5.02 |
| 247.28 | 0.53 | 0.53 |
| 282.34 | 2.39 | 2.39 |
| 256.10 | 2.01 | 2.01 |
| 260.33 | 2.02 | 2.02 |
| 297.42 | 4.63 | 4.63 |
| 392.50 | 3.41 | 3.41 |
| 359.35 | 0.76 | 0.76 |
| 452.60 | 5.22 | 5.22 |
| 250.34 | 2.76 | 2.76 |
| 608.69 | 4.17 | 4.17 |
| 265.36 | 2.69 | 2.69 |
| 221.30 | 1.05 | 1.05 |
| 329.37 | 3.33 | 3.33 |
| 316.43 | 0.50 | 0.50 |
| 255.27 | 2.97 | 2.97 |
| 267.24 | -0.20 | -0.20 |
| 441.54 | 4.03 | 4.03 |
| 387.48 | 3.74 | 3.74 |
| 293.37 | 2.93 | 2.93 |
| 266.34 | 1.12 | 1.12 |
| 323.42 | 1.63 | 1.63 |
| 488.02 | 3.31 | 3.31 |
| 461.56 | 5.86 | 5.86 |
| 425.92 | 3.35 | 3.35 |
| 424.09 | 5.46 | 5.46 |
| 285.31 | 2.66 | 2.66 |
| 369.49 | 1.29 | 1.29 |
| 308.33 | 3.61 | 3.61 |
| 422.92 | 4.27 | 4.27 |
| 474.59 | 1.61 | 1.61 |
| 365.50 | 4.01 | 4.01 |
| 320.48 | 3.25 | 3.25 |
| 413.43 | 2.88 | 2.88 |
| 295.43 | 3.80 | 3.80 |
| 338.44 | 3.46 | 3.46 |
| 383.38 | 2.88 | 2.88 |
| 345.42 | 2.90 | 2.90 |
| 428.54 | 4.78 | 4.78 |
| 305.34 | 2.64 | 2.64 |
| 246.35 | 1.77 | 1.77 |
| 289.38 | 1.93 | 1.93 |
| 360.37 | 2.57 | 2.57 |
| 367.45 | 2.23 | 2.23 |
| 309.41 | 0.63 | 0.63 |
| 426.49 | 3.08 | 3.08 |
| 371.39 | 2.58 | 2.58 |
| 627.75 | 5.81 | 5.81 |
| 260.34 | 1.80 | 1.80 |
| 327.38 | 1.30 | 1.30 |
| 221.26 | 1.79 | 1.79 |
| 558.60 | 4.17 | 4.17 |
| 273.74 | 1.62 | 1.62 |
| 507.47 | 3.96 | 3.96 |
| 431.95 | 2.24 | 2.24 |
| 241.24 | 0.53 | 0.53 |
| 388.46 | 2.58 | 2.58 |
| 392.52 | 3.77 | 3.77 |
| 398.40 | 3.70 | 3.70 |
| 275.35 | 0.36 | 0.36 |
| 416.52 | 2.38 | 2.38 |
| 321.83 | 3.67 | 3.67 |
| 325.41 | 1.53 | 1.53 |
| 352.77 | 2.81 | 2.81 |
| 392.47 | 1.90 | 1.90 |
| 317.43 | 3.26 | 3.26 |
| 409.43 | 4.89 | 4.89 |
| 346.41 | 2.29 | 2.29 |
| 377.53 | 4.36 | 4.36 |
| 424.50 | 2.57 | 2.57 |
| 301.39 | 2.81 | 2.81 |
| 383.53 | 4.45 | 4.45 |
| 287.36 | 1.85 | 1.85 |
| 543.64 | 6.29 | 6.29 |
| 276.38 | 3.68 | 3.68 |
| 389.41 | 2.21 | 2.21 |
| 370.79 | 2.61 | 2.61 |
| 390.52 | 3.95 | 3.95 |
| 358.43 | 1.77 | 1.77 |
| 314.41 | 1.46 | 1.46 |
| 435.53 | 4.16 | 4.16 |
| 244.27 | -0.75 | -0.75 |
| 581.67 | 1.99 | 1.99 |
| 341.43 | 0.41 | 0.41 |
| 385.49 | 2.98 | 2.98 |
| 195.22 | 0.91 | 0.91 |
| 193.20 | 1.57 | 1.57 |
| 443.64 | 3.47 | 3.47 |
| 368.47 | 1.94 | 1.94 |
| 720.96 | 5.91 | 5.91 |
| 441.52 | 2.56 | 2.56 |
| 331.47 | 1.32 | 1.32 |
| 291.44 | 4.88 | 4.88 |
| 327.34 | 3.05 | 3.05 |
| 312.45 | 3.88 | 3.88 |
| 356.42 | 4.37 | 4.37 |
| 366.50 | 4.31 | 4.31 |
| 404.55 | 4.20 | 4.20 |
| 429.60 | 5.41 | 5.41 |
| 430.54 | 2.72 | 2.72 |
| 433.50 | 2.52 | 2.52 |
| 408.52 | 2.34 | 2.34 |
| 822.05 | 4.64 | 4.64 |
| 337.46 | 4.22 | 4.22 |
| 421.47 | 4.52 | 4.52 |
| 484.39 | 3.91 | 3.91 |
| 494.53 | 2.99 | 2.99 |
| 305.29 | 1.78 | 1.78 |
| 384.52 | 4.28 | 4.28 |
| 362.47 | 2.93 | 2.93 |
| 654.61 | 3.19 | 3.19 |
| 340.46 | 4.06 | 4.06 |
| 382.53 | 3.82 | 3.82 |
| 278.40 | 3.92 | 3.92 |
| 416.95 | 4.61 | 4.61 |
| 434.50 | 2.47 | 2.47 |