KEGG   DRUG: Phenprocoumon
Entry
D05457                      Drug                                   

Name
Phenprocoumon (USAN/INN);
Liquamar (TN)
Formula
C18H16O3
Exact mass
280.1099
Mol weight
280.3178
Structure
Simcomp
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01708  Coumarin anticoagulant
   DG01759  Dicumarol type coumarin derivative
Remark
ATC code: B01AA04
Efficacy
Anticoagulant, Vitamin K antagonist
Comment
coumarin derivative
Target
VKORC1 [HSA:79001] [KO:K05357]
  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
     B01AA04 Phenprocoumon
      D05457  Phenprocoumon (USAN/INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01708  Coumarin anticoagulant
    DG01759  Dicumarol type coumarin derivative
     D05457  Phenprocoumon
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Vitamin-K-epoxide reductase
    VKORC1
     D05457  Phenprocoumon (USAN/INN)
Other DBs
CAS: 435-97-2
PubChem: 47207126
ChEBI: 50438
ChEMBL: CHEMBL1465
DrugBank: DB00946
LigandBox: D05457
NIKKAJI: J5.733I
LinkDB
KCF data

ATOM        21
            1   C8x C    23.4500  -16.5200
            2   C8x C    23.4500  -17.9200
            3   C8x C    22.2600  -18.6200
            4   C8x C    21.0000  -17.9200
            5   C8y C    21.0000  -16.5200
            6   C8x C    22.2600  -15.8200
            7   C8y C    18.6200  -17.9200
            8   C8y C    18.6200  -16.5200
            9   C1c C    19.8100  -15.8200
            10  O7x O    17.4300  -18.6200
            11  C8y C    16.1700  -17.9200
            12  C8y C    16.1700  -16.5200
            13  C8y C    17.4300  -15.8200
            14  C8x C    14.9800  -18.6200
            15  C8x C    13.7900  -17.9200
            16  C8x C    13.7900  -16.5200
            17  C8x C    14.9800  -15.8200
            18  C1b C    19.8100  -14.4200
            19  O6a O    19.8100  -18.6200
            20  O1a O    17.4300  -14.4200
            21  C1a C    21.0000  -13.7200
BOND        23
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 2
            15   11  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   12  17 2
            20    9  18 1
            21    7  19 2
            22   13  20 1
            23   18  21 1

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