KEGG   DRUG: D07137Help
Entry
D07137                      Drug                                   

Name
Tioclomarol (INN)
Formula
C22H16Cl2O4S
Exact mass
446.0146
Mol weight
447.331
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Comment
Coumarin [DR:D07751] derivative
Target
vitamin-K-epoxide reductase inhibitor [HSA:79001] [KO:K05357]
  Pathway
hsa00130  Ubiquinone and other terpenoid-quinone biosynthesis  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AA Vitamin K antagonists
     B01AA11 Tioclomarol
      D07137  Tioclomarol (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   vitamin-K-epoxide reductase
    Tioclomarol
     D07137  Tioclomarol (INN)
Phytochemicals used as drugs [BR:br08306]
 Phenylpropanoids and related compounds
  Coumarins
   D07137  Tioclomarol (INN)
BRITE hierarchy
Other DBs
CAS: 
22619-35-8
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8x C    11.9700  -19.2500
            2   C8x C    11.9700  -17.8500
            3   C8x C    13.1600  -17.1500
            4   C8y C    14.4200  -17.8500
            5   C8y C    14.4200  -19.2500
            6   C8x C    13.1600  -19.9500
            7   C8y C    15.6100  -17.1500
            8   C8y C    16.8000  -17.8500
            9   C8y C    16.8000  -19.2500
            10  O7x O    15.6100  -19.9500
            11  C1c C    17.9900  -17.1500
            12  C1b C    19.2500  -17.8500
            13  C1c C    20.4400  -17.1500
            14  C8y C    21.6300  -17.8500
            15  C8x C    22.8200  -17.1500
            16  C8x C    24.0800  -17.8500
            17  C8y C    24.0800  -19.2500
            18  C8x C    22.8900  -19.9500
            19  C8x C    21.6300  -19.2500
            20  C8y C    17.9900  -15.7500
            21  O1a O    20.4400  -15.7500
            22  O1a O    15.6100  -15.7500
            23  X   Cl   25.2700  -19.9500
            24  C8x C    16.8700  -14.9100
            25  C8x C    17.2900  -13.5800
            26  C8y C    18.6900  -13.5800
            27  S2x S    19.1800  -14.9100
            28  X   Cl   19.5300  -12.4600
            29  O6a O    17.9900  -19.9500
BOND        32
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            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 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22   11  20 1
            23   13  21 1
            24    7  22 1
            25   17  23 1
            26   20  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   20  27 1
            31   26  28 1
            32    9  29 2

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