KEGG   DRUG: Odevixibat hydrate
Entry
D13092                      Drug                                   
Name
Odevixibat hydrate (JAN);
Odevixibat sesquihydrate;
Bylvay (TN)
Product
BYLVAY (Albireo Pharma), BYLVAY (Ipsen Biopharmaceuticals)
Formula
(C37H48N4O8S2)2. 3H2O
Exact mass
1534.6144
Mol weight
1535.91
Structure
Class
Transporter substrate
 DG01665  ABCB1 substrate
Remark
Therapeutic category: 3919
ATC code: A05AX05
Chemical structure group: DG03339
Product (DG03339): D13092<JP/US>
Efficacy
Hepatoprotectants, Bile acid transporter (ASBT/IBAT) inhibitor
  Disease
Progressive familial intrahepatic cholestasis [DS:H00624]
Alagille syndrome [DS:H00551]
Comment
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
      D13092  Odevixibat hydrate (JAN) <JP/US>
USP drug classification [BR:br08302]
 Gastrointestinal Agents
  Gastrointestinal Agents, Other
   Odevixibat
    D13092  Odevixibat hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   391  Liver disease agents
    3919  Others
     D13092  Odevixibat hydrate (JAN)
Drug groups [BR:br08330]
 Transporter substrate
  DG01665  ABCB1 substrate
   DG03339  Odevixibat
    D13092  Odevixibat hydrate
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC10
    SLC10A2 (ASBT, IBAT)
     D13092  Odevixibat hydrate (JAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D13092
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D13092
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D13092
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D13092
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D13092
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D13092
Drug groups [BR:br08330]
 Transporter substrate
  DG01665  ABCB1 substrate
   DG03339  Odevixibat
Other DBs
CAS: 2409081-01-0
PubChem: 508750762
LinkDB
KCF data

ATOM        105
            1   C8y C    15.8795  -15.8795
            2   S2x S    14.7603  -14.9701
            3   N1x N    13.4311  -15.3199
            4   C1z C    12.8016  -16.5791
            5   C8y C    15.8795  -17.2786
            6   C1x C    13.4311  -17.8382
            7   N1y N    14.7603  -18.1180
            8   C8x C    17.1387  -17.9781
            9   C8y C    18.3279  -17.2786
            10  C8y C    18.3279  -15.8795
            11  C8x C    17.1387  -15.1800
            12  O3c O    14.4105  -13.6410
            13  O3c O    16.0194  -14.2706
            14  C8y C    15.1100  -19.5171
            15  C8x C    14.0607  -20.4965
            16  C8x C    14.3405  -21.8256
            17  C8x C    15.6697  -22.3153
            18  C8x C    16.7190  -21.2660
            19  C8x C    16.4392  -19.9368
            20  C1b C    11.8222  -17.5584
            21  C1b C    11.6123  -15.8795
            22  C1b C    10.4231  -16.5791
            23  C1b C     9.2339  -15.8795
            24  C1a C     8.0447  -16.5791
            25  C1b C    11.8222  -18.9575
            26  S2a S    19.6570  -17.9781
            27  C1a C    20.8462  -17.3486
            28  O2a O    19.6570  -15.1800
            29  C1b C    20.8462  -15.8795
            30  C5a C    22.0355  -15.1800
            31  N1b N    23.2247  -15.8795
            32  O5a O    22.0355  -13.7809
            33  C1c C    24.4139  -15.1800
            34  C8y C    25.6031  -15.8795
            35  C5a C    24.4139  -13.7809
            36  C1b C    10.6330  -19.6570
            37  N1b N    25.6031  -13.0814
            38  O5a O    23.1547  -13.0814
            39  C1c C    25.6031  -11.6823
            40  C6a C    26.7923  -10.9828
            41  C1b C    24.3439  -10.9828
            42  C1a C    23.1547  -11.6823
            43  O6a O    27.9815  -11.6823
            44  O6a O    26.7923   -9.5837
            45  C8x C    25.6032  -17.2786
            46  C8x C    26.7923  -17.9781
            47  C8y C    27.9815  -17.2786
            48  C8x C    27.9815  -15.9495
            49  C8x C    26.7923  -15.1800
            50  O1a O    29.1708  -18.0481
            51  C1a C     9.4438  -18.9575
            52  O0  O    35.2800  -15.3300
            53  C8y C    15.8795  -15.8795
            54  C8y C    15.8795  -17.2786
            55  N1y N    14.7603  -18.1180
            56  C1x C    13.4311  -17.8382
            57  C1z C    12.8016  -16.5791
            58  N1x N    13.4311  -15.3199
            59  S2x S    14.7603  -14.9701
            60  O3c O    14.4105  -13.6410
            61  O3c O    16.0194  -14.2706
            62  C1b C    11.8222  -17.5584
            63  C1b C    11.8222  -18.9575
            64  C1b C    10.6330  -19.6570
            65  C1a C     9.4438  -18.9575
            66  C1b C    11.6123  -15.8795
            67  C1b C    10.4231  -16.5791
            68  C1b C     9.2339  -15.8795
            69  C1a C     8.0447  -16.5791
            70  C8y C    15.1100  -19.5171
            71  C8x C    14.0607  -20.4965
            72  C8x C    14.3405  -21.8256
            73  C8x C    15.6697  -22.3153
            74  C8x C    16.7190  -21.2660
            75  C8x C    16.4392  -19.9368
            76  C8x C    17.1387  -17.9781
            77  C8y C    18.3279  -17.2786
            78  C8y C    18.3279  -15.8795
            79  C8x C    17.1387  -15.1800
            80  O2a O    19.6570  -15.1800
            81  C1b C    20.8462  -15.8795
            82  C5a C    22.0355  -15.1800
            83  N1b N    23.2247  -15.8795
            84  C1c C    24.4139  -15.1800
            85  C8y C    25.6031  -15.8795
            86  C8x C    25.6032  -17.2786
            87  C8x C    26.7923  -17.9781
            88  C8y C    27.9815  -17.2786
            89  C8x C    27.9815  -15.9495
            90  C8x C    26.7923  -15.1800
            91  O1a O    29.1708  -18.0481
            92  C5a C    24.4139  -13.7809
            93  N1b N    25.6031  -13.0814
            94  C1c C    25.6031  -11.6823
            95  C6a C    26.7923  -10.9828
            96  O6a O    27.9815  -11.6823
            97  O6a O    26.7923   -9.5837
            98  C1b C    24.3439  -10.9828
            99  C1a C    23.1547  -11.6823
            100 O5a O    23.1547  -13.0814
            101 O5a O    22.0355  -13.7809
            102 S2a S    19.6570  -17.9781
            103 C1a C    20.8462  -17.3486
            104 O0  O    35.2800  -15.3300
            105 O0  O    35.2800  -15.3300
BOND        108
            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
            55   58  57 1
            56   53  54 1
            57   57  56 1
            58   59  58 1
            59   54  55 1
            60   53  59 1
            61   56  55 1
            62   54  76 2
            63   76  77 1
            64   77  78 2
            65   78  79 1
            66   53  79 2
            67   59  60 2
            68   59  61 2
            69   55  70 1
            70   70  71 2
            71   71  72 1
            72   72  73 2
            73   73  74 1
            74   74  75 2
            75   70  75 1
            76   57  62 1
            77   57  66 1
            78   66  67 1
            79   67  68 1
            80   68  69 1
            81   62  63 1
            82   77 102 1
            83  102 103 1
            84   78  80 1
            85   80  81 1
            86   81  82 1
            87   82  83 1
            88   82 101 2
            89   83  84 1
            90   84  85 1
            91   84  92 1 #Up
            92   63  64 1
            93   92  93 1
            94   92 100 2
            95   94  93 1 #Up
            96   94  95 1
            97   94  98 1
            98   98  99 1
            99   95  96 1
            100  95  97 2
            101  85  86 2
            102  86  87 1
            103  87  88 2
            104  88  89 1
            105  89  90 2
            106  85  90 1
            107  88  91 1
            108  64  65 1
BRACKET     1     5.9500  -22.7500    5.9500   -7.7700
            1    30.8000   -7.7700   30.8000  -22.7500
            1  2
 ORIGINAL  1    1   5   7   6   4   3   2  12  13  20  25  36  51  21  22  23
            1   24  14  15  16  17  18  19   8   9  10  11  28  29  30  31  33
            1   34  45  46  47  48  49  50  35  37  39  40  43  44  41  42  38
            1   32  26  27
 REPEAT    1   53  54  55  56  57  58  59  60  61  62  63  64  65  66  67  68
            1   69  70  71  72  73  74  75  76  77  78  79  80  81  82  83  84
            1   85  86  87  88  89  90  91  92  93  94  95  96  97  98  99 100
            1  101 102 103
            2    33.2500  -16.5900   33.2500  -14.2100
            2    35.9800  -14.2100   35.9800  -16.5900
            2  3
 ORIGINAL  2   52
 REPEAT    2  104 105

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