KEGG   DRUG: TioclomarolHelp
Entry
D07137                      Drug                                   

Name
Tioclomarol (INN)
Formula
C22H16Cl2O4S
Exact mass
446.0146
Mol weight
447.331
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01708  Coumarin anticoagulant
  DG01759  Dicumarol type coumarin derivative
 DG01950  Antithrombotic agent
  DG01708  Coumarin anticoagulant
   DG01759  Dicumarol type coumarin derivative
Remark
ATC code: 
Activity
Anticoagulant, Vitamin K antagonist
Comment
Coumarin derivative
Target
VKORC1 [HSA:79001] [KO:K05357]
  Pathway
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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