KEGG   DRUG: Elobixibat hydrateHelp
Entry
D10795                      Drug                                   

Name
Elobixibat hydrate (JAN);
Goofice (TN)
Formula
C36H45N3O7S2. H2O
Exact mass
713.2805
Mol weight
713.9037
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Transporter inhibitor
 DG01622  ABCB1 (P-GP) inhibitor
Remark
Therapeutic category: 2359
Chemical structure group: DG01924
Product (DG01924): D10795<JP>
Efficacy
Laxative, Bile acid transporter (ASBT/IBAT) inhibitor
Comment
Treatment of chronic idiopathic constipation
Target
SLC10A2 (ISBT/IBAT) [HSA:6555] [KO:K14342]
  Pathway
hsa04976  Bile secretion
Interaction
Transporter inhibition: ABCB1 [HSA:5243]
Drug interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   235  Purgatives, clysters
    2359  Others
     D10795  Elobixibat hydrate (JAN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC10
    SLC10A2 (ISBT/IBAT)
     D10795  Elobixibat hydrate (JAN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10795
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10795
BRITE hierarchy
Other DBs
PubChem: 316933531
LinkDB All DBs
KCF data Show

ATOM        49
            1   C8y C    20.1600  -15.5400
            2   S2x S    19.0400  -14.6300
            3   C1x C    17.7100  -14.9800
            4   C1z C    17.0800  -16.2400
            5   C8y C    20.1600  -16.9400
            6   C1x C    17.7100  -17.5000
            7   N1y N    19.0400  -17.7800
            8   C8x C    21.3500  -17.6400
            9   C8y C    22.6100  -16.9400
            10  C8y C    22.6100  -15.5400
            11  C8x C    21.3500  -14.8400
            12  S2a S    23.8000  -17.6400
            13  C1a C    24.9900  -16.9400
            14  O2a O    23.8000  -14.8400
            15  C1b C    24.9900  -15.5400
            16  C5a C    26.1800  -14.8400
            17  N1b N    27.3700  -15.5400
            18  O5a O    26.1800  -13.4400
            19  C1c C    28.5600  -14.8400
            20  C8y C    29.7500  -15.5400
            21  C5a C    28.5600  -13.4400
            22  N1b N    29.7500  -12.7400
            23  O5a O    27.3700  -12.7400
            24  C1b C    30.9400  -13.4400
            25  C6a C    32.1300  -12.7400
            26  O6a O    33.3200  -13.4400
            27  O6a O    32.1300  -11.3400
            28  C8x C    29.7500  -16.9400
            29  C8x C    31.0100  -17.6400
            30  C8x C    32.2000  -16.9400
            31  C8x C    32.2000  -15.5400
            32  C8x C    31.0100  -14.8400
            33  C8y C    19.3200  -19.1800
            34  C8x C    18.1300  -19.8800
            35  C8x C    18.1300  -21.2800
            36  C8x C    19.3200  -21.9800
            37  C8x C    20.5800  -21.2800
            38  C8x C    20.5800  -19.8800
            39  O3c O    20.0299  -13.6401
            40  O3c O    18.0501  -13.6401
            41  C1b C    16.0901  -15.2501
            42  C1b C    16.0901  -17.2299
            43  C1b C    14.7446  -15.6106
            44  C1b C    13.7673  -14.6330
            45  C1a C    12.4369  -14.9894
            46  C1b C    14.7446  -16.8694
            47  C1b C    13.7673  -17.8470
            48  C1a C    12.4369  -17.4906
            49  O0  O    28.8400  -21.4200
BOND        51
            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    9  12 1
            14   12  13 1
            15   10  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 2
            20   17  19 1
            21   19  20 1
            22   19  21 1 #Up
            23   21  22 1
            24   21  23 2
            25   22  24 1
            26   24  25 1
            27   25  26 1
            28   25  27 2
            29   20  28 2
            30   28  29 1
            31   29  30 2
            32   30  31 1
            33   31  32 2
            34   20  32 1
            35    7  33 1
            36   34  35 2
            37   35  36 1
            38   36  37 2
            39   37  38 1
            40   38  33 2
            41   33  34 1
            42    2  39 2
            43    2  40 2
            44    4  41 1
            45    4  42 1
            46   41  43 1
            47   43  44 1
            48   44  45 1
            49   42  46 1
            50   46  47 1
            51   47  48 1

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