KEGG   DRUG: CapecitabineHelp
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
Class
Antineoplastic
 DG01439  Arabinofuranosyl type antineoplastic
 DG01935  Fluoropyrimidine antineoplastic
Unclassified
 DG01958  Nucleic acid derivative, antineoplastic
  DG01439  Arabinofuranosyl type antineoplastic
  DG01935  Fluoropyrimidine antineoplastic
Remark
Same as: 
Therapeutic category: 
ATC code: 
Activity
Antineoplastic, Antimetabolite
Target
TYMS [HSA:7298] [KO:K00560]
  Pathway
Pyrimidine metabolism
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)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP2C9
   Capecitabine
    D01223  Capecitabine (JAN/USAN/INN)
 CYP substrates
  CYP2C9
   Capecitabine
    D01223  Capecitabine (JAN/USAN/INN)
Antineoplastics [br08340.html]
 D01223
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Polymorphisms and germline mutations
  D01223
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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