KEGG   DRUG: Carmofur
Entry
D01784                      Drug                                   
Name
Carmofur (JP18/INN);
Mifurol (TN)
Formula
C11H16FN3O3
Exact mass
257.1176
Mol weight
257.2614
Structure
Simcomp
Class
Antineoplastic
 DG02018  Antimetabolite
  DG01958  Nucleic acid derivative, antineoplastic
   DG01935  Fluoropyrimidine antineoplastic
Remark
Same as: C13252
ATC code: L01BC04
Efficacy
Antineoplastic, Antimetabolite
Comment
Active form of prodrug: Fluorouracil [DR:D00584]
Target
TYMS [HSA:7298] [KO:K00560]
  Pathway
hsa00240  Pyrimidine metabolism
hsa00670  One carbon pool by folate
Interaction
Other map
map00983  Drug metabolism - other enzymes
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01B ANTIMETABOLITES
    L01BC Pyrimidine analogues
     L01BC04 Carmofur
      D01784  Carmofur (JP18/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG02018  Antimetabolite
   DG01958  Nucleic acid derivative, antineoplastic
    DG01935  Fluoropyrimidine antineoplastic
     D01784  Carmofur
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Methyltransferases
    TYMS
     D01784  Carmofur (JP18/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01784  Carmofur
Prodrugs [br08324.html]
 D01784
Other DBs
CAS: 61422-45-5
PubChem: 7848846
ChEBI: 31360
LigandBox: D01784
NIKKAJI: J1.101K
LinkDB
KCF data

ATOM        18
            1   C8x C    16.7300   -9.2400
            2   N4y N    16.7300  -10.6400
            3   C8y C    17.9424  -11.3400
            4   N4x N    19.1549  -10.6400
            5   C8y C    19.1549   -9.2400
            6   C8y C    17.9424   -8.5400
            7   O5x O    20.3860   -8.5290
            8   O5x O    17.9424  -12.7398
            9   C5a C    15.5176  -11.3400
            10  N1b N    14.3051  -10.6400
            11  C1b C    13.0927  -11.3400
            12  C1b C    11.8803  -10.6400
            13  C1b C    10.6678  -11.3400
            14  C1b C     9.4554  -10.6400
            15  C1b C     8.2430  -11.3400
            16  O5a O    15.5176  -12.7398
            17  X   F    17.9424   -7.1402
            18  C1a C     7.0434  -10.6473
BOND        18
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     5   7 2
            8     3   8 2
            9     2   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16    9  16 2
            17    6  17 1
            18   15  18 1

» Japanese version   » Back

KEGG   COMPOUND: C13252
Entry
C13252                      Compound                               
Name
Carmofur;
1-Hexylcarbamoyl-5-fluorouracil
Formula
C11H16FN3O3
Exact mass
257.1176
Mol weight
257.2614
Structure
Remark
Same as: D01784
Reaction
Pathway
map00983  Drug metabolism - other enzymes
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01B ANTIMETABOLITES
    L01BC Pyrimidine analogues
     L01BC04 Carmofur
      D01784  Carmofur (JP18/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG02018  Antimetabolite
   DG01958  Nucleic acid derivative, antineoplastic
    DG01935  Fluoropyrimidine antineoplastic
     D01784  Carmofur
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Methyltransferases
    TYMS
     D01784  Carmofur (JP18/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01784  Carmofur
Prodrugs [br08324.html]
 D01784
Other DBs
CAS: 61422-45-5
PubChem: 585996
LinkDB
KCF data

ATOM        18
            1   N4x N    24.1102  -16.8225
            2   C8y C    24.0859  -15.4359
            3   C8y C    22.8254  -14.7238
            4   C8x C    21.6261  -15.4580
            5   N4y N    21.6504  -16.8445
            6   C8y C    22.9110  -17.5568
            7   O5x O    22.8655  -18.9433
            8   X   F    22.8009  -13.3373
            9   O5x O    25.2852  -14.7017
            10  C5a C    20.5112  -17.5420
            11  N1b N    19.2875  -16.9277
            12  O5a O    20.5021  -18.9885
            13  C1b C    18.0656  -17.6356
            14  C1b C    16.8477  -16.9325
            15  C1b C    15.6300  -17.6356
            16  C1b C    14.4122  -16.9325
            17  C1b C    13.1943  -17.6356
            18  C1a C    11.9765  -16.9325
BOND        18
            1     2   9 2
            2     3   4 2
            3     5  10 1
            4     4   5 1
            5    10  11 1
            6     5   6 1
            7    10  12 2
            8     6   1 1
            9     6   7 2
            10    1   2 1
            11    3   8 1
            12    2   3 1
            13   11  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1

» Japanese version

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