KEGG   DRUG: Maralixibat chloride
Entry
D10952                      Drug                                   

Name
Maralixibat chloride (USAN/INN);
Livmarli (TN)
Product
Formula
C40H56N3O4S. Cl
Exact mass
709.368
Mol weight
710.4083
Structure
Simcomp
Remark
Chemical structure group: DG02832
Product (DG02832): D10952<US>
Efficacy
Hepatoprotectants, Bile acid transporter (ASBT/IBAT) inhibitor
  Disease
Alagille syndrome [DS:H00551]
Comment
Treatment of cholestatic liver disease
Target
SLC10A2 (ASBT, IBAT) [HSA:6555] [KO:K14342]
  Pathway
hsa04976  Bile secretion
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC10
    SLC10A2 (ASBT, IBAT)
     D10952  Maralixibat chloride (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10952
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10952
Other DBs
CAS: 228113-66-4
PubChem: 342581804
ChEMBL: CHEMBL17879
LinkDB
KCF data

ATOM        49
            1   C8y C    18.2358  -12.9176
            2   S2x S    17.1182  -12.0095
            3   C1x C    15.7910  -12.3588
            4   C1z C    15.1624  -13.6161
            5   C8y C    18.2358  -14.3146
            6   C1y C    15.7910  -14.8734
            7   C1y C    17.1182  -15.1528
            8   C8x C    19.4232  -15.0131
            9   C8y C    20.6805  -14.3146
            10  C8x C    20.6805  -12.9176
            11  C8x C    19.4232  -12.2191
            12  O3c O    18.0961  -10.9618
            13  O3c O    16.1403  -10.9618
            14  C1b C    14.1146  -12.5683
            15  C1b C    14.1146  -14.5940
            16  C1b C    12.7875  -12.9874
            17  C1b C    11.8096  -12.0095
            18  C1a C    10.4824  -12.3588
            19  C1b C    12.7875  -14.2447
            20  C1b C    11.8096  -15.2226
            21  C1a C    10.4824  -14.8734
            22  N1c N    21.8680  -15.0131
            23  C1a C    23.0554  -14.3146
            24  C1a C    21.8680  -16.4101
            25  O1a O    14.8830  -15.9910
            26  C8y C    17.1182  -16.5498
            27  C8x C    15.9084  -17.2483
            28  C8x C    15.9084  -18.6453
            29  C8y C    17.1182  -19.3438
            30  C8x C    18.3280  -18.6453
            31  C8x C    18.3280  -17.2483
            32  O2a O    17.1182  -20.7408
            33  C1b C    18.3280  -21.4393
            34  C8y C    19.5209  -20.7504
            35  C8x C    20.7058  -21.4344
            36  C8x C    21.9156  -20.7358
            37  C8y C    21.9155  -19.3388
            38  C8x C    20.7307  -18.6549
            39  C8x C    19.5209  -19.3534
            40  C1b C    23.1397  -18.6317
            41  N2y N    24.3446  -19.3272 #+
            42  C1x C    24.3451  -20.7404
            43  C1x C    25.5552  -21.4385
            44  N1y N    26.7648  -20.7395
            45  C1x C    26.7643  -19.3263
            46  C1x C    25.5542  -18.6282
            47  C1x C    25.7416  -19.3272
            48  C1x C    25.3678  -20.7395
            49  X   Cl   28.7000  -17.0100 #-
BOND        53
            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    4  14 1
            16    4  15 1
            17   14  16 1
            18   16  17 1
            19   17  18 1
            20   15  19 1
            21   19  20 1
            22   20  21 1
            23    9  22 1
            24   22  23 1
            25   22  24 1
            26    6  25 1 #Up
            27    7  26 1 #Up
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   29  30 1
            32   30  31 2
            33   26  31 1
            34   29  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 2
            38   35  36 1
            39   36  37 2
            40   37  38 1
            41   38  39 2
            42   34  39 1
            43   37  40 1
            44   40  41 1
            45   41  42 1
            46   42  43 1
            47   43  44 1
            48   44  45 1
            49   45  46 1
            50   41  46 1
            51   41  47 1
            52   44  48 1
            53   47  48 1

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