KEGG   DRUG: WarfarinHelp
Entry
D08682                      Drug                                   

Name
Warfarin (INN);
Warfarine;
Choice (TN)
Formula
C19H16O4
Exact mass
308.1049
Mol weight
308.3279
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01708  Coumarin anticoagulant
  DG01760  Warfarin and analog
 DG01950  Antithrombotic agent
  DG01708  Coumarin anticoagulant
   DG01760  Warfarin and analog
Enzyme substrate
 DG01642  CYP2C9 substrate
Remark
Same as: C01541
ATC code: B01AA03
Chemical structure group: DG00149
Product (DG00149): D00564<US> D01280<JP>
Efficacy
Anticoagulant, Vitamin K antagonist
Comment
coumarin derivative
Target
VKORC1 [HSA:79001] [KO:K05357]
NQO1 [HSA:1728] [KO:K00355]
  Pathway
hsa00130  Ubiquinone and other terpenoid-quinone biosynthesis
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Drug interaction
Structure map
map07049  Antithrombosis agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AA Vitamin K antagonists
     B01AA03 Warfarin
      D08682  Warfarin (INN)
USP drug classification [BR:br08302]
 Blood Products/Modifiers/Volume Expanders
  Anticoagulants
   Warfarin
    D08682  Warfarin (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   NAD(P)H dehydrogenase
    NQO1
     D08682  Warfarin (INN)
   Vitamin-K-epoxide reductase
    VKORC1
     D08682  Warfarin (INN)
BRITE hierarchy
Other DBs
CAS: 81-81-2
PubChem: 96025365
ChEBI: 10033
ChEMBL: CHEMBL1464
DrugBank: DB00682
LigandBox: D08682
NIKKAJI: J3.862H J489.785D
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8y C    24.1500  -16.5900
            2   C1c C    25.4100  -17.2900
            3   C8y C    22.9600  -17.2900
            4   C8y C    24.1500  -15.1900
            5   C8y C    25.4100  -18.6200
            6   C1b C    26.6000  -16.5900
            7   C8y C    21.7700  -16.5900
            8   O1a O    22.9600  -18.7600
            9   O7x O    22.9600  -14.4200
            10  O6a O    25.3400  -14.4900
            11  C8x C    24.1500  -19.3200
            12  C8x C    26.6000  -19.3200
            13  C5a C    27.7900  -17.2200
            14  C8y C    21.7700  -15.1900
            15  C8x C    20.5100  -17.2900
            16  C8x C    24.1500  -20.7200
            17  C8x C    26.6000  -20.7200
            18  C1a C    27.7900  -18.7600
            19  O5a O    28.9800  -16.5900
            20  C8x C    20.5100  -14.4900
            21  C8x C    19.3200  -16.5900
            22  C8x C    25.4100  -21.4200
            23  C8x C    19.3200  -15.1900
BOND        25
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    7  14 2
            14    7  15 1
            15   11  16 1
            16   12  17 2
            17   13  18 1
            18   13  19 2
            19   14  20 1
            20   15  21 2
            21   16  22 2
            22   20  23 2
            23    9  14 1
            24   17  22 1
            25   21  23 1

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