KEGG   DRUG: VintafolideHelp
Entry
D10434                      Drug                                   

Name
Vintafolide (USAN/INN)
Formula
C86H109N21O26S2
Exact mass
1915.7294
Mol weight
1917.0408
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01965  Antineoplastic, vinca alkaloid
Remark
ATC code: L01CA06
Efficacy
Antineoplastic, Folate receptor agonist
Target
FOLR [HSA:2348 2350 2352 390243] [KO:K13649]
  Pathway
hsa04144  Endocytosis
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01C PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
    L01CA Vinca alkaloids and analogues
     L01CA06 Vintafolide
      D10434  Vintafolide (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Other transporters
   Folate receptor
    FOLR
     D10434  Vintafolide (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 742092-03-1
PubChem: 172232527
LinkDB All DBs
KCF data Show

ATOM        135
            1   C1z C    19.6610  -22.4606
            2   C1y C    20.7805  -21.7609
            3   C1y C    19.6610  -23.7201
            4   C8y C    17.4219  -22.4606
            5   C1x C    18.8213  -21.3410
            6   C1z C    21.9001  -22.4606
            7   N1y N    20.7805  -20.4314
            8   C1z C    20.7805  -24.4198
            9   N1y N    18.5414  -24.4198
            10  C8y C    17.4219  -23.7201
            11  C8x C    16.3024  -21.7609
            12  C1x C    19.4511  -20.4314
            13  C1y C    21.9001  -23.7201
            14  C2x C    23.0896  -21.7609
            15  C1b C    23.0196  -23.0903
            16  C1x C    21.9001  -19.8017
            17  C5a C    21.6901  -25.5393
            18  O1a O    20.2907  -26.3090
            19  C8x C    16.3024  -24.4198
            20  C8y C    15.1828  -22.4606
            21  O1a O    24.0692  -24.2798
            22  C2x C    23.0896  -20.4314
            23  C1a C    24.1391  -22.4606
            24  N1b N    21.6901  -26.8688
            25  C8y C    15.1828  -23.7201
            26  C1z C    12.6638  -20.0815
            27  O2a O    14.0633  -24.3498
            28  C8y C    11.5443  -19.3119
            29  C1x C    13.9233  -19.3119
            30  C7a C    12.3140  -21.3410
            31  C1a C    12.9437  -23.7201
            32  C8y C    11.5443  -17.9824
            33  C1y C    13.9233  -18.0524
            34  O7a O    10.8446  -21.8308
            35  O6a O    13.1536  -22.3906
            36  C1x C    10.8446  -16.8629
            37  C1x C    12.8038  -17.4226
            38  C1x C    15.1128  -17.2127
            39  C1a C    10.0049  -23.2303
            40  C1x C    11.6143  -15.8833
            41  N1y N    12.8038  -16.1632
            42  C1z C    15.0429  -16.0932
            43  C1x C    13.9233  -15.3935
            44  C1b C    16.5822  -16.5830
            45  O1a O    15.8825  -14.7637
            46  C1a C    17.6318  -15.9532
            47  O5a O    23.0196  -25.0495
            48  C8y C     9.4452  -18.6821
            49  N4x N    10.2149  -19.8716
            50  C8y C    10.2149  -17.5626
            51  C8x C     9.5151  -16.2331
            52  C8x C     8.1157  -16.2331
            53  C8x C     7.4160  -17.4226
            54  C8x C     8.1857  -18.6821
            55  N1b N    22.8797  -27.5685
            56  C7a C    24.0692  -26.8688
            57  O7a O    25.2587  -27.5685
            58  O6a O    24.0692  -25.4693
            59  C1b C    26.4482  -26.8688
            60  C1b C    27.6377  -27.5685
            61  S3a S    28.8272  -26.8688
            62  S3a S    30.0167  -27.5685
            63  C1b C    31.2062  -26.8688
            64  C1c C    32.3957  -27.5685
            65  N1b N    33.5853  -26.8688
            66  C6a C    32.3957  -28.9679
            67  C5a C    34.7748  -27.5685
            68  C1c C    35.9643  -26.8688
            69  O5a O    34.7748  -28.9679
            70  N1b N    37.1538  -27.5685
            71  C1b C    35.9643  -25.4693
            72  C5a C    38.3433  -26.8688
            73  C1c C    39.5328  -27.5685
            74  O5a O    38.3433  -25.4693
            75  N1b N    40.7223  -26.8688
            76  C1b C    39.5328  -28.9679
            77  O6a O    31.2062  -29.6676
            78  C6a C    34.7748  -24.7696
            79  O6a O    33.5853  -25.4693
            80  O6a O    34.7748  -23.3702
            81  C6a C    38.3433  -29.6676
            82  O6a O    37.1538  -28.9679
            83  O6a O    38.3433  -31.0670
            84  C5a C    41.9118  -27.5685
            85  C1c C    43.1013  -26.8688
            86  O5a O    41.9118  -28.9679
            87  N1b N    44.2909  -27.5685
            88  C1b C    43.1013  -25.4693
            89  C1b C    41.9118  -24.7696
            90  C1b C    41.9118  -23.3702
            91  N1b N    40.7223  -22.6705
            92  C2c C    39.5328  -23.3702
            93  N1a N    38.3433  -22.6705
            94  N2a N    39.5328  -24.7696
            95  C5a C    45.4804  -26.8688
            96  C1c C    46.6699  -27.5685
            97  O5a O    45.4804  -25.4693
            98  N1b N    47.8594  -26.8688
            99  C1b C    46.6699  -28.9679
            100 C6a C    45.4804  -29.6676
            101 O6a O    44.2909  -28.9679
            102 O6a O    45.4804  -31.0670
            103 C5a C    49.0489  -27.5685
            104 C1b C    50.2384  -26.8688
            105 O5a O    49.0489  -28.9679
            106 C1b C    51.4279  -27.5685
            107 C1c C    52.6174  -26.8688
            108 N1b N    53.8069  -27.5685
            109 C6a C    52.6174  -25.4693
            110 O6a O    51.4279  -24.7696
            111 C5a C    54.9965  -26.8688
            112 C8y C    56.1860  -27.5685
            113 O5a O    54.9965  -25.4693
            114 C8x C    56.1860  -28.9679
            115 C8x C    57.4455  -29.6676
            116 C8y C    58.6350  -28.9679
            117 C8x C    58.6350  -27.5685
            118 C8x C    57.4455  -26.8688
            119 N1b N    59.8245  -29.6676
            120 C1b C    61.0140  -28.9679
            121 C8y C    62.2035  -29.6676
            122 C8x C    62.2035  -31.0670
            123 N5x N    63.4630  -31.7667
            124 C8y C    64.6525  -31.0670
            125 C8y C    64.6525  -29.6676
            126 N5x N    63.4630  -28.9679
            127 N5x N    65.8420  -31.7667
            128 C8y C    67.1015  -31.0670
            129 N4x N    67.1015  -29.6676
            130 C8y C    65.8420  -28.9679
            131 O6a O    53.8069  -24.7696
            132 O5x O    65.8420  -27.5685
            133 N1a N    68.2910  -31.7667
            134 C1a C    17.5618  -25.3994
            135 O6a O    33.6270  -29.6721
BOND        146
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Down
            15    7  16 1
            16    8  17 1 #Down
            17    8  18 1 #Up
            18   10  19 1
            19   11  20 2
            20   13  21 1 #Up
            21   14  22 2
            22   15  23 1
            23   17  24 1
            24   19  25 2
            25   26  20 1 #Down
            26   25  27 1
            27   26  28 1
            28   26  29 1
            29   26  30 1 #Up
            30   27  31 1
            31   28  32 2
            32   29  33 1
            33   30  34 1
            34   30  35 2
            35   32  36 1
            36   33  37 1 #Down
            37   33  38 1
            38   34  39 1
            39   36  40 1
            40   41  37 1 #Down
            41   38  42 1
            42   41  43 1
            43   42  44 1 #Down
            44   42  45 1 #Up
            45   44  46 1
            46    7  12 1
            47    8  13 1
            48    9  10 1
            49   16  22 1
            50   20  25 1
            51   40  41 1
            52   42  43 1
            53   17  47 2
            54   48  49 1
            55   49  28 1
            56   32  50 1
            57   48  50 1
            58   50  51 2
            59   51  52 1
            60   52  53 2
            61   53  54 1
            62   48  54 2
            63   24  55 1
            64   55  56 1
            65   56  57 1
            66   56  58 2
            67   57  59 1
            68   59  60 1
            69   60  61 1
            70   61  62 1
            71   62  63 1
            72   63  64 1
            73   64  65 1
            74   64  66 1 #Down
            75   65  67 1
            76   67  68 1
            77   67  69 2
            78   68  70 1
            79   68  71 1 #Down
            80   70  72 1
            81   72  73 1
            82   72  74 2
            83   73  75 1
            84   73  76 1 #Up
            85   66  77 1
            86   71  78 1
            87   78  79 1
            88   78  80 2
            89   76  81 1
            90   81  82 1
            91   81  83 2
            92   75  84 1
            93   84  85 1
            94   84  86 2
            95   85  87 1
            96   85  88 1 #Down
            97   88  89 1
            98   89  90 1
            99   90  91 1
            100  91  92 1
            101  92  93 1
            102  92  94 2
            103  87  95 1
            104  95  96 1
            105  95  97 2
            106  96  98 1
            107  96  99 1 #Up
            108  99 100 1
            109 100 101 1
            110 100 102 2
            111  98 103 1
            112 103 104 1
            113 103 105 2
            114 104 106 1
            115 106 107 1
            116 107 108 1
            117 107 109 1 #Up
            118 109 110 1
            119 108 111 1
            120 111 112 1
            121 111 113 2
            122 112 114 2
            123 114 115 1
            124 115 116 2
            125 116 117 1
            126 117 118 2
            127 112 118 1
            128 116 119 1
            129 119 120 1
            130 120 121 1
            131 121 122 1
            132 122 123 2
            133 123 124 1
            134 124 125 2
            135 125 126 1
            136 121 126 2
            137 124 127 1
            138 127 128 2
            139 128 129 1
            140 129 130 1
            141 125 130 1
            142 109 131 2
            143 130 132 2
            144 128 133 1
            145   9 134 1
            146  66 135 2

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