KEGG   DRUG: Tecarfarin sodium
Entry
D09677                      Drug                                   

Name
Tecarfarin sodium (USAN)
Formula
C21H13F6O5. Na
Exact mass
482.0565
Mol weight
482.3051
Structure
Simcomp
Class
Cardiovascular agent
 DG01708  Coumarin anticoagulant
  DG01760  Warfarin and analog
 DG01950  Antithrombotic agent
  DG01708  Coumarin anticoagulant
   DG01760  Warfarin and analog
Remark
Chemical structure group: DG01390
Efficacy
Anticoagulant
Comment
coumarin derivative
Target
VKORC1 [HSA:79001] [KO:K05357]
  Pathway
hsa00130  Ubiquinone and other terpenoid-quinone biosynthesis
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Vitamin-K-epoxide reductase
    VKORC1
     D09677  Tecarfarin sodium (USAN)
Other DBs
PubChem: 124490417
ChEMBL: CHEMBL2105676
LigandBox: D09677
LinkDB
KCF data

ATOM        33
            1   C8x C    15.6100  -25.9000
            2   C8x C    15.6100  -27.3000
            3   C8x C    16.8000  -28.0000
            4   C8y C    17.9900  -27.3000
            5   C8y C    17.9900  -25.9000
            6   C8x C    16.8000  -25.2000
            7   C8y C    19.2500  -28.0000
            8   C8y C    20.4400  -27.3000
            9   C8y C    20.4400  -25.9000
            10  O7x O    19.2500  -25.2000
            11  C1b C    21.6300  -28.0000
            12  C8y C    22.8200  -27.3000
            13  C8x C    24.0800  -28.0000
            14  C8x C    25.2700  -27.3000
            15  C8y C    25.2700  -25.9000
            16  C8x C    24.0800  -25.2000
            17  C8x C    22.8200  -25.9000
            18  C7a C    26.4600  -25.2000
            19  O7a O    27.7200  -25.9000
            20  C1d C    28.9100  -25.2000
            21  O6a O    26.4600  -23.8000
            22  C1d C    28.9100  -23.8000
            23  X   F    30.1000  -23.1000
            24  X   F    27.6500  -23.1000
            25  X   F    28.9100  -22.4000
            26  C1d C    30.3100  -25.2000
            27  C1a C    28.9100  -26.6000
            28  X   F    31.0100  -26.3900
            29  X   F    31.0100  -24.0100
            30  X   F    31.7100  -25.2000
            31  O6a O    21.6300  -25.2000
            32  O1a O    19.2500  -29.4000 #-
            33  Z   Na   20.8600  -29.4000 #+
BOND        34
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   15  18 1
            21   18  19 1
            22   19  20 1
            23   18  21 2
            24   20  22 1
            25   22  23 1
            26   22  24 1
            27   22  25 1
            28   20  26 1
            29   20  27 1
            30   26  28 1
            31   26  29 1
            32   26  30 1
            33    9  31 2
            34    7  32 1

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