KEGG   DRUG: Plevitrexed
Entry
D10803                      Drug                                   
Name
Plevitrexed (INN)
Formula
C26H25FN8O4
Exact mass
532.1983
Mol weight
532.5263
Structure
Class
Antineoplastic
 DG02018  Antimetabolite
  DG01978  Folic acid analog
Efficacy
Antineoplastic, Antimetabolite
Target
TYMS [HSA:7298] [KO:K00560]
  Pathway
hsa00240  Pyrimidine metabolism
hsa00670  One carbon pool by folate
Interaction
Other map
map01523  Antifolate resistance
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG02018  Antimetabolite
   DG01978  Folic acid analog
    D10803  Plevitrexed
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Methyltransferases
    TYMS
     D10803  Plevitrexed (INN)
Other DBs
CAS: 153537-73-6
PubChem: 318172285
LinkDB
KCF data

ATOM        39
            1   C8y C    16.2400  -15.7500
            2   C8y C    16.2400  -17.1500
            3   C8x C    15.0500  -17.8500
            4   C8y C    13.7900  -17.1500
            5   C8y C    13.7900  -15.7500
            6   C8x C    15.0500  -15.0500
            7   C8y C    12.6000  -17.8500
            8   N5x N    11.4100  -17.1500
            9   C8y C    11.4100  -15.7500
            10  N4x N    12.6000  -15.0500
            11  C1a C    10.2200  -15.0500
            12  O5x O    12.6000  -19.2500
            13  C1a C    17.4300  -15.0500
            14  C1b C    17.4300  -17.8500
            15  N1c N    18.6200  -17.1500
            16  C8y C    19.8100  -17.8500
            17  C1b C    18.6200  -15.7500
            18  C3b C    19.8100  -15.0500
            19  C3a C    21.0700  -14.3500
            20  C8x C    21.0000  -17.1500
            21  C8x C    22.2600  -17.8500
            22  C8y C    22.2600  -19.2500
            23  C8y C    21.0700  -19.9500
            24  C8x C    19.8100  -19.2500
            25  X   F    21.0700  -21.3500
            26  C5a C    23.4500  -19.9500
            27  N1b N    24.6400  -19.2500
            28  O5a O    23.4500  -21.3500
            29  C1c C    25.8300  -19.9500
            30  C1b C    27.0200  -19.2500
            31  C6a C    25.8300  -21.3500
            32  O6a O    27.0200  -22.0500
            33  O6a O    24.6400  -22.0500
            34  C1b C    28.2100  -19.9500
            35  C8y C    29.4000  -19.2500
            36  N4x N    29.4066  -17.8430
            37  N5x N    30.7738  -17.4316
            38  N5x N    31.5835  -18.5498
            39  N5x N    30.7771  -19.6814
BOND        42
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13    7  12 2
            14    1  13 1
            15    2  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 1
            19   17  18 1
            20   18  19 3
            21   16  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   16  24 1
            27   23  25 1
            28   22  26 1
            29   26  27 1
            30   26  28 2
            31   27  29 1
            32   29  30 1
            33   29  31 1 #Up
            34   31  32 1
            35   31  33 2
            36   30  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   37  38 2
            41   38  39 1
            42   35  39 2

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