KEGG   DRUG: Odevixibat
Entry
D11716                      Drug                                   
Name
Odevixibat (USAN)
Formula
C37H48N4O8S2
Exact mass
740.2914
Mol weight
740.93
Structure
Class
Transporter substrate
 DG01665  ABCB1 substrate
Remark
ATC code: A05AX05
Chemical structure group: DG03339
Product (DG03339): D13092<US>
Efficacy
Hepatoprotectants, Bile acid transporter (ASBT/IBAT) inhibitor
Comment
Treatment of cholestatic liver disease
Bylvay may not be effective in PFIC type 2 patients with ABCB11 variants resulting in non-functional or complete absence of bile salt export pump protein (BSEP-3).
Target
SLC10A2 (ASBT, IBAT) [HSA:6555] [KO:K14342]
  Pathway
hsa04976  Bile secretion
Metabolism
Transporter: ABCB1 [HSA:5243]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A05 BILE AND LIVER THERAPY
   A05A BILE THERAPY
    A05AX Other drugs for bile therapy
     A05AX05 Odevixibat
      D11716  Odevixibat (USAN)
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Gastrointestinal Agents, Other
   Odevixibat
    D11716  Odevixibat (USAN)
Drug groups [BR:br08330]
 Transporter substrate
  DG01665  ABCB1 substrate
   DG03339  Odevixibat
    D11716  Odevixibat
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC10
    SLC10A2 (ASBT, IBAT)
     D11716  Odevixibat (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D11716
Drug groups [BR:br08330]
 Transporter substrate
  DG01665  ABCB1 substrate
   DG03339  Odevixibat
Other DBs
CAS: 501692-44-0
PubChem: 405226582
LinkDB
KCF data

ATOM        51
            1   C8y C    17.7284  -15.1357
            2   S2x S    16.6073  -14.2248
            3   N1x N    15.2759  -14.5751
            4   C1z C    14.6452  -15.8365
            5   C8y C    17.7284  -16.5372
            6   C1x C    15.2759  -17.0978
            7   N1y N    16.6073  -17.3781
            8   C8x C    18.9897  -17.2379
            9   C8y C    20.1810  -16.5372
            10  C8y C    20.1810  -15.1357
            11  C8x C    18.9897  -14.4350
            12  O3c O    16.2569  -12.8934
            13  O3c O    17.8686  -13.5241
            14  C8y C    16.9576  -18.7795
            15  C8x C    15.9065  -19.7605
            16  C8x C    16.1868  -21.0919
            17  C8x C    17.5182  -21.5124
            18  C8x C    18.5693  -20.5313
            19  C8x C    18.2890  -19.2000
            20  C1b C    13.6642  -16.8175
            21  C1b C    13.4540  -15.1357
            22  C1b C    12.2627  -15.8365
            23  C1b C    11.0715  -15.1357
            24  C1a C     9.8803  -15.8365
            25  C1b C    13.6642  -18.2189
            26  S2a S    21.4423  -17.2379
            27  C1a C    22.6335  -16.6073
            28  O2a O    21.4423  -14.4350
            29  C1b C    22.6335  -15.1357
            30  C5a C    23.8248  -14.4350
            31  N1b N    25.0160  -15.1357
            32  O5a O    23.8248  -13.0335
            33  C1c C    26.2072  -14.4350
            34  C8y C    27.3985  -15.1357
            35  C5a C    26.2072  -13.0335
            36  C1b C    12.4495  -18.9203
            37  N1b N    27.4047  -12.3418
            38  O5a O    24.9685  -12.3184
            39  C1c C    27.4049  -10.9204
            40  C6a C    28.5912  -10.2354
            41  C1b C    26.1664  -10.2049
            42  C1a C    24.9576  -10.9025
            43  O6a O    29.7736  -10.9179
            44  O6a O    28.5914   -8.8204
            45  C8x C    27.3870  -16.5199
            46  C8x C    28.5936  -17.2300
            47  C8y C    29.8118  -16.5401
            48  C8x C    29.8233  -15.1559
            49  C8x C    28.6167  -14.4458
            50  O1a O    31.0156  -17.2484
            51  C1a C    11.2363  -18.2199
BOND        54
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     5   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    1  11 2
            13    2  12 2
            14    2  13 2
            15    7  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22    4  20 1
            23    4  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   20  25 1
            28    9  26 1
            29   26  27 1
            30   10  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   30  32 2
            35   31  33 1
            36   33  34 1
            37   33  35 1 #Up
            38   25  36 1
            39   35  37 1
            40   35  38 2
            41   39  37 1 #Up
            42   39  40 1
            43   39  41 1
            44   41  42 1
            45   40  43 1
            46   40  44 2
            47   34  45 2
            48   45  46 1
            49   46  47 2
            50   47  48 1
            51   48  49 2
            52   34  49 1
            53   47  50 1
            54   36  51 1

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