KEGG   DRUG: D01223Help
Entry
D01223                      Drug                                   

Name
Capecitabine (JAN/USAN/INN);
Xeloda (TN)
Product
  Generic
Formula
C15H22FN3O6
Exact mass
359.1493
Mol weight
359.3501
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic [DS:H00020]
Remark
Same as: 
Therapeutic category: 
ATC code: 
Drug group: 
Target
thymidylate synthase inhibitor [HSA:7298] [KO:K00560]
  Pathway
hsa00240  Pyrimidine metabolism
hsa00670  One carbon pool by folate  
 
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Genomic biomarker: DPYD [HSA:1806]
Drug interaction
Structure map
Antineoplastics - antimetabolic agents
Other map
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
     L01BC06 Capecitabine
      D01223  Capecitabine (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   422  Antimetabolites
    4223  Fluorouracils
     D01223  Capecitabine (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases
   thymidylate synthase
    Capecitabine
     D01223  Capecitabine (JAN/USAN/INN)
Antineoplastics [BR:br08308]
 Antimetabolites
  Pyrimidine analogs
   Capecitabine
    D01223  Capecitabine (JAN/USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C9
   Capecitabine
    D01223  Capecitabine (JAN/USAN/INN)
 Inhbitors
  CYP2C9
   Capecitabine
    D01223  Capecitabine (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
154361-50-9
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1y C    11.2700  -21.5600
            2   C1y C    12.6700  -21.5600
            3   C1y C    13.1600  -20.2300
            4   O2x O    11.9700  -19.4600
            5   C1y C    10.8500  -20.2300
            6   C1a C     9.5200  -19.8100
            7   O1a O    10.4300  -22.7500
            8   O1a O    13.5100  -22.7500
            9   N4y N    14.4900  -19.8100
            10  C8y C    15.6800  -20.5100
            11  N5x N    16.9400  -19.8100
            12  C8y C    16.9400  -18.4100
            13  C8y C    15.7500  -17.7100
            14  C8x C    14.4900  -18.4100
            15  O5x O    15.6800  -21.9100
            16  X   F    15.7500  -16.3800
            17  N1b N    18.1300  -17.7100
            18  C7a C    19.3200  -18.4100
            19  O7a O    20.5100  -17.7100
            20  C1b C    21.7000  -18.4100
            21  C1b C    22.8900  -17.7100
            22  C1b C    24.0800  -18.4100
            23  C1b C    25.2700  -17.7100
            24  C1a C    26.4600  -18.4100
            25  O6a O    19.3200  -19.8100
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 1 #Up
            7     1   7 1 #Down
            8     2   8 1 #Down
            9     3   9 1 #Up
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   10  15 2
            17   13  16 1
            18   17  18 1
            19   17  12 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   18  25 2

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