KEGG   DRUG: Plevitrexed
Entry
D10803                      Drug                                   

Name
Plevitrexed (INN)
Formula
C26H25FN8O4
Exact mass
532.1983
Mol weight
532.5263
Structure
Class
Antineoplastic
 DG01978  Folic acid analog
 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
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Methyltransferases
    TYMS
     D10803  Plevitrexed (INN)
Other DBs
CAS: 153537-73-6
PubChem: 318172285
ChEMBL: CHEMBL126648
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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