KEGG   DRUG: Elamipretide hydrochloride
Entry
D11542                      Drug                                   
Name
Elamipretide hydrochloride (USAN);
Forzinity (TN)
Formula
C32H49N9O5. 3HCl
Exact mass
747.3157
Mol weight
749.17
Structure
Simcomp
Remark
Chemical structure group: DG03046
Efficacy
Mitochondrial protective
  Disease
Barth syndrome [DS:H00654]
Comment
Mitochondrial protective agent to improve cell viability
Target
Citochondrial cardiolipin [CPD:C05980]
Brite
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11542
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11542
Other DBs
CAS: 2244098-12-0
PubChem: 384585518
LinkDB
KCF data

ATOM        49
            1   N1a N    10.9315  -16.8878
            2   C1c C    12.1228  -16.1871
            3   C5a C    13.3141  -16.8878
            4   N1b N    14.5053  -16.1871
            5   C1c C    15.6966  -16.8878
            6   C5a C    16.8878  -16.1871
            7   N1b N    18.0791  -16.8878
            8   C1c C    19.2704  -16.1871
            9   C5a C    20.4616  -16.8878
            10  N1b N    21.6529  -16.1871
            11  C1c C    22.8441  -16.8878
            12  C5a C    23.9653  -16.1871
            13  N1a N    25.1566  -16.8878
            14  O5a O    23.9653  -14.7856
            15  C1b C    22.8441  -18.2192
            16  C8y C    23.9653  -18.9200
            17  C8x C    23.9653  -20.2514
            18  C8x C    25.1566  -20.9521
            19  C8x C    26.3478  -20.2514
            20  C8x C    26.3478  -18.9200
            21  C8x C    25.1566  -18.2192
            22  O5a O    20.4616  -18.2192
            23  C1b C    19.2704  -14.7856
            24  O5a O    16.8878  -14.7856
            25  C1b C    20.4616  -14.0849
            26  C1b C    20.4616  -12.7535
            27  C1b C    21.6529  -12.0527
            28  N1a N    21.6529  -10.6513
            29  C1b C    15.6966  -19.6207
            30  C8y C    16.8878  -20.3215
            31  C8y C    16.8878  -21.6529
            32  C8x C    18.0791  -22.3536
            33  C8y C    19.2704  -21.6529
            34  C8x C    19.2704  -20.3215
            35  C8y C    18.0791  -19.6207
            36  O1a O    20.4616  -22.3536
            37  C1a C    15.6966  -22.3536
            38  C1a C    18.0791  -18.2192
            39  O5a O    13.3141  -18.2192
            40  C1b C    12.1228  -14.7856
            41  C1b C    13.3141  -14.0849
            42  C1b C    13.3141  -12.7535
            43  N1b N    14.5053  -12.0527
            44  C2c C    14.5053  -10.6513
            45  N1a N    15.6966  -10.0206
            46  N2a N    13.3141  -10.0206
            47  X   Cl   27.6500  -11.6900
            48  X   Cl   27.6500  -11.6900
            49  X   Cl   27.6500  -11.6900
BOND        47
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   12  14 2
            14   11  15 1 #Down
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 2
            21   16  21 1
            22    9  22 2
            23    8  23 1 #Up
            24    6  24 2
            25   23  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29    5  29 1 #Down
            30   29  30 1
            31   30  31 2
            32   31  32 1
            33   32  33 2
            34   33  34 1
            35   34  35 2
            36   30  35 1
            37   33  36 1
            38   31  37 1
            39   35  38 1
            40    3  39 2
            41    2  40 1 #Down
            42   40  41 1
            43   41  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   44  46 2
BRACKET     1    25.9700  -12.3200   25.9700  -10.7800
            1    28.4200  -10.7800   28.4200  -12.3200
            1  3
 ORIGINAL  1   47
 REPEAT    1   48  49

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