KEGG   DRUG: PhenprocoumonHelp
Entry
D05457                      Drug                                   

Name
Phenprocoumon (USAN/INN);
Liquamar (TN)
Formula
C18H16O3
Exact mass
280.1099
Mol weight
280.3178
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: B01AA04
Efficacy
Anticoagulant, Vitamin K antagonist
Comment
coumarin derivative
Target
VKORC1 [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
     B01AA04 Phenprocoumon
      D05457  Phenprocoumon (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Vitamin-K-epoxide reductase
    VKORC1
     D05457  Phenprocoumon (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 435-97-2
PubChem: 47207126
ChEBI: 50438
ChEMBL: CHEMBL1465
DrugBank: DB00946
LigandBox: D05457
NIKKAJI: J5.733I
LinkDB All DBs
KCF data Show

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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