KEGG   DRUG: AcenocoumarolHelp
Entry
D07064                      Drug                                   

Name
Acenocoumarol (INN);
Acenocoumarin;
Mini-sintrom (TN)
Formula
C19H15NO6
Exact mass
353.0899
Mol weight
353.3255
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
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: 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
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
     B01AA07 Acenocoumarol
      D07064  Acenocoumarol (INN)
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)
BRITE hierarchy
Other DBs
CAS: 152-72-7
PubChem: 51091406
ChEBI: 53766
ChEMBL: CHEMBL397420
LigandBox: D07064
NIKKAJI: J5.869F
LinkDB All DBs
KCF data Show

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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