KEGG   DRUG: Carmofur
Entry
D01784                      Drug                                   

Name
Carmofur (JP17/INN);
Mifurol (TN)
Formula
C11H16FN3O3
Exact mass
257.1176
Mol weight
257.2614
Structure
Simcomp
Class
Antineoplastic
 DG01958  Nucleic acid derivative, antineoplastic
  DG01935  Fluoropyrimidine antineoplastic
 DG01935  Fluoropyrimidine 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 (JP17/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Methyltransferases
    TYMS
     D01784  Carmofur (JP17/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
ChEMBL: CHEMBL460499
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 (JP17/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Methyltransferases
    TYMS
     D01784  Carmofur (JP17/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01784  Carmofur
Prodrugs [br08324.html]
 D01784
Other DBs
CAS: 61422-45-5
PubChem: 585996
ChEMBL: CHEMBL460499
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

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