KEGG   DRUG: Melphalan flufenamide hydrochloride
Entry
D11870                      Drug                                   
Name
Melphalan flufenamide hydrochloride (USAN);
Pepaxto (TN);
Pepaxti (TN)
Formula
C24H30Cl2FN3O3. HCl
Exact mass
533.1415
Mol weight
534.87
Structure
Remark
ATC code: L01AA10
Chemical structure group: DG03115
Efficacy
Antineoplastic, Alkylating agent
  Disease
Multiple myeloma [DS:H00010]
Comment
Active form of prodrug: Melphalan [DR:D00369]
Treatment of multiple myeloma
Target
DNA
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01A ALKYLATING AGENTS
    L01AA Nitrogen mustard analogues
     L01AA10 Melphalan flufenamide
      D11870  Melphalan flufenamide hydrochloride (USAN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11870
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11870
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11870
Other DBs
CAS: 380449-54-7
PubChem: 433774545
LinkDB
KCF data

ATOM        34
            1   C8y C    24.0748  -17.2863
            2   N1c N    25.2645  -17.9861
            3   C8x C    22.8151  -17.9861
            4   C8x C    24.0748  -15.8866
            5   C1b C    25.2645  -19.3858
            6   C1b C    26.4543  -17.2863
            7   C8x C    21.6253  -17.2863
            8   C8x C    22.8151  -15.1867
            9   C8y C    21.6253  -15.8866
            10  C1b C    20.4356  -15.1867
            11  C1c C    19.1758  -15.8866
            12  C5a C    17.9861  -15.1867
            13  N1a N    19.1758  -17.2863
            14  N1b N    16.7964  -15.8866
            15  O5a O    17.9861  -13.8570
            16  C1b C    26.4543  -15.8866
            17  X   Cl   27.7140  -15.1867
            18  C1b C    24.0048  -20.0856
            19  X   Cl   24.0048  -21.4853
            20  C1c C    15.6066  -15.1867
            21  C1b C    14.4169  -15.8866
            22  C7a C    15.6066  -13.7870
            23  O6a O    16.8663  -13.1571
            24  O7a O    14.4169  -13.0172
            25  C8y C    13.1571  -15.1867
            26  C1b C    14.4169  -11.6175
            27  C1a C    13.2271  -10.9176
            28  C8x C    13.1571  -13.7870
            29  C8x C    11.9674  -13.0872
            30  C8y C    10.7777  -13.7870
            31  C8x C    10.7777  -15.2567
            32  C8x C    11.9674  -15.8866
            33  X   F     9.5179  -13.0872
            34  X   Cl   24.5000  -11.6200
BOND        34
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     7   9 2
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   11  13 1 #Down
            13   12  14 1
            14   12  15 2
            15    8   9 1
            16    6  16 1
            17   16  17 1
            18    5  18 1
            19   18  19 1
            20   14  20 1
            21   20  21 1
            22   20  22 1 #Up
            23   22  23 2
            24   22  24 1
            25   21  25 1
            26   24  26 1
            27   26  27 1
            28   25  28 2
            29   28  29 1
            30   29  30 2
            31   30  31 1
            32   31  32 2
            33   25  32 1
            34   30  33 1

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