KEGG   DRUG: Melphalan flufenamide
Entry
D11865                      Drug                                   
Name
Melphalan flufenamide (USAN/INN)
Formula
C24H30Cl2FN3O3
Exact mass
497.1648
Mol weight
498.4177
Structure
Remark
ATC code: L01AA10
Chemical structure group: DG03115
Product (DG03115): D11870<US>
Efficacy
Antineoplastic, Alkylating agent
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
      D11865  Melphalan flufenamide (USAN/INN)
Other DBs
CAS: 380449-51-4
LinkDB
KCF data

ATOM        33
            1   C8y C    20.4400  -15.8200
            2   N1c N    21.6300  -16.5200
            3   C8x C    19.1800  -16.5200
            4   C8x C    20.4400  -14.4200
            5   C1b C    21.6300  -17.9200
            6   C1b C    22.8200  -15.8200
            7   C8x C    17.9900  -15.8200
            8   C8x C    19.1800  -13.7200
            9   C8y C    17.9900  -14.4200
            10  C1b C    16.8000  -13.7200
            11  C1c C    15.5400  -14.4200
            12  C5a C    14.3500  -13.7200
            13  N1a N    15.5400  -15.8200
            14  N1b N    13.1600  -14.4200
            15  O5a O    14.3500  -12.3900
            16  C1b C    22.8200  -14.4200
            17  X   Cl   24.0800  -13.7200
            18  C1b C    20.3700  -18.6200
            19  X   Cl   20.3700  -20.0200
            20  C1c C    11.9700  -13.7200
            21  C1b C    10.7800  -14.4200
            22  C7a C    11.9700  -12.3200
            23  O6a O    13.2300  -11.6900
            24  O7a O    10.7800  -11.5500
            25  C8y C     9.5200  -13.7200
            26  C1b C    10.7800  -10.1500
            27  C1a C     9.5900   -9.4500
            28  C8x C     9.5200  -12.3200
            29  C8x C     8.3300  -11.6200
            30  C8y C     7.1400  -12.3200
            31  C8x C     7.1400  -13.7900
            32  C8x C     8.3300  -14.4200
            33  X   F     5.8800  -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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