KEGG   DRUG: Lometrexol sodium
Entry
D04766                      Drug                                   

Name
Lometrexol sodium (USAN)
Formula
C21H23N5O6. 2Na
Exact mass
487.1444
Mol weight
487.4168
Structure
Simcomp
Class
Antineoplastic
 DG01978  Folic acid analog
 DG02018  Antimetabolite
  DG01978  Folic acid analog
Efficacy
Antineoplastic, Antimetabolite
Target
GART [HSA:2618] [KO:K11787]
  Pathway
hsa00230  Purine metabolism
hsa00670  One carbon pool by folate
Interaction
Other map
map01523  Antifolate resistance
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Ligases (EC6)
   GART
    GART
     D04766  Lometrexol sodium (USAN)
Other DBs
CAS: 120408-07-3
PubChem: 47206581
ChEMBL: CHEMBL2104666
LigandBox: D04766
LinkDB
KCF data

ATOM        34
            1   C8y C     5.8100  -16.0300
            2   N5x N     5.8100  -17.4300
            3   C8y C     7.0224  -18.1300
            4   C8y C     8.2349  -17.4300
            5   C8y C     8.2349  -16.0300
            6   N4x N     7.0224  -15.3300
            7   C1x C     9.4473  -18.1300
            8   C1y C    10.6597  -17.4300
            9   C1x C    10.6597  -16.0300
            10  N1x N     9.4473  -15.3300
            11  O5x O     7.0224  -19.5298
            12  N1a N     4.5976  -15.3300
            13  C1b C    11.8573  -18.1215
            14  C1b C    13.0456  -17.4355
            15  C8y C    14.2364  -18.1231
            16  C8x C    14.2364  -19.5298
            17  C8x C    15.4488  -20.2298
            18  C8y C    16.6612  -19.5298
            19  C8x C    16.6612  -18.1232
            20  C8x C    15.4488  -17.4231
            21  C5a C    17.8728  -20.2293
            22  N1b N    19.0677  -19.5393
            23  O5a O    17.8729  -21.6298
            24  C1c C    20.2554  -20.2249
            25  C1b C    21.4465  -19.5370
            26  C1b C    22.6360  -20.2238
            27  C6a C    20.2555  -21.6298
            28  O6a O    21.4489  -22.3188 #-
            29  O6a O    19.0240  -22.3411
            30  C6a C    23.8262  -19.5365
            31  O6a O    25.0161  -20.2236 #-
            32  O6a O    23.8263  -18.1302
            33  Z   Na   23.4500  -22.4000 #+
            34  Z   Na   26.8100  -20.1600 #+
BOND        34
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    3  11 2
            13    1  12 1
            14    8  13 1 #Down
            15   13  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   18  21 1
            24   21  22 1
            25   21  23 2
            26   22  24 1
            27   24  25 1
            28   25  26 1
            29   24  27 1 #Up
            30   27  28 1
            31   27  29 2
            32   26  30 1
            33   30  31 1
            34   30  32 2

» Japanese version   » Back

DBGET integrated database retrieval system