KEGG   DRUG: Acenocoumarol
Entry
D07064                      Drug                                   
Name
Acenocoumarol (INN);
Acenocoumarin;
Mini-sintrom (TN)
Formula
C19H15NO6
Exact mass
353.0899
Mol weight
353.3255
Structure
Simcomp
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01708  Coumarin anticoagulant
   DG01759  Dicumarol type coumarin derivative
Remark
ATC code: B01AA07
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
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
     B01AA07 Acenocoumarol
      D07064  Acenocoumarol (INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01708  Coumarin anticoagulant
    DG01759  Dicumarol type coumarin derivative
     D07064  Acenocoumarol
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   NAD(P)H dehydrogenase
    NQO1
     D07064  Acenocoumarol (INN)
   Vitamin-K-epoxide reductase
    VKORC1
     D07064  Acenocoumarol (INN)
Other DBs
CAS: 152-72-7
PubChem: 51091406
ChEBI: 53766
LigandBox: D07064
NIKKAJI: J5.869F
LinkDB
KCF data

ATOM        26
            1   C8x C    12.6000  -17.9200
            2   C8x C    12.6000  -16.5200
            3   C8x C    13.7900  -15.8200
            4   C8y C    15.0500  -16.5200
            5   C8y C    15.0500  -17.9200
            6   C8x C    13.7900  -18.6200
            7   C8y C    16.2400  -15.8200
            8   C8y C    17.4300  -16.5200
            9   C8y C    17.4300  -17.9200
            10  O7x O    16.2400  -18.6200
            11  C1c C    18.6900  -15.8200
            12  C8y C    19.8800  -16.5200
            13  C8x C    19.8800  -17.9200
            14  O6a O    18.6900  -18.6200
            15  C8x C    21.0700  -15.8200
            16  C8x C    22.2600  -16.5200
            17  C8y C    22.2600  -17.9200
            18  C8x C    21.0700  -18.6200
            19  O1a O    16.2400  -14.4200
            20  C1b C    18.6900  -14.4200
            21  C5a C    19.8800  -13.7200
            22  C1a C    21.0700  -14.4200
            23  O5a O    19.8800  -12.3200
            24  N2b N    23.5200  -18.6200 #+
            25  O3a O    24.7100  -17.9200 #-
            26  O3a O    23.5200  -20.0200
BOND        28
            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    9  14 2
            16   12  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   13  18 2
            21    7  19 1
            22   11  20 1
            23   20  21 1
            24   21  22 1
            25   21  23 2
            26   17  24 1
            27   24  25 1
            28   24  26 2

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