KEGG   DRUG: TegafurHelp
Entry
D01244                      Drug                                   

Name
Tegafur (JP17/USAN/INN);
Atillon (TN)
Formula
C8H9FN2O3
Exact mass
200.0597
Mol weight
200.1671
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01958  Nucleic acid derivative, antineoplastic
  DG01935  Fluoropyrimidine antineoplastic
 DG01935  Fluoropyrimidine antineoplastic
 DG02018  Antimetabolite
  DG01958  Nucleic acid derivative, antineoplastic
   DG01935  Fluoropyrimidine antineoplastic
Enzyme substrate
 DG01638  CYP2A6 substrate
Remark
Same as: C12673
Therapeutic category: 4223
ATC code: L01BC03
Product: D01244<JP>
Product (mixture): D02131<JP> D06399<JP>
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
Metabolism
Enzyme: CYP2A6 [HSA:1548]
Interaction
Drug interaction
Structure map
map07041  Antineoplastics - antimetabolic agents
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
     L01BC03 Tegafur
      D01244  Tegafur (JP17/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   422  Antimetabolites
    4223  Fluorouracils
     D01244  Tegafur (JP17/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Methyltransferases
    TYMS
     D01244  Tegafur (JP17/USAN/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01244  Tegafur
Antineoplastics [br08340.html]
 D01244
Prodrugs [br08324.html]
 D01244
BRITE hierarchy
Other DBs
CAS: 17902-23-7
PubChem: 7848307
ChEBI: 32188
ChEMBL: CHEMBL20883
LigandBox: D01244
NIKKAJI: J4.543H
KCF data Show

ATOM        14
            1   C1y C    22.3760  -18.2217
            2   O2x O    21.2472  -17.3849
            3   C1x C    21.9301  -19.5480
            4   C1x C    20.1024  -18.2004
            5   C1x C    20.5236  -19.5348
            6   N4y N    23.7960  -17.4047
            7   C8y C    24.9907  -18.1227
            8   C8x C    23.8098  -16.0038
            9   N4x N    26.2164  -17.4363
            10  O5x O    24.9714  -19.5247
            11  C8y C    25.0353  -15.3174
            12  C8y C    26.2357  -16.0341
            13  O5x O    27.4626  -15.3536
            14  X   F    25.0542  -13.9477
BOND        15
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   5 1
            6     6   7 1
            7     6   8 1
            8     7   9 1
            9     7  10 2
            10    8  11 2
            11    9  12 1
            12   12  13 2
            13   11  12 1
            14   11  14 1
            15    1   6 1

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