KEGG   DRUG: ClorindioneHelp
Entry
D07135                      Drug                                   

Name
Clorindione (INN);
G-25766
Formula
C15H9ClO2
Exact mass
256.0291
Mol weight
256.6838
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01708  Coumarin anticoagulant
  DG01761  Phenindion type coumarin derivative
 DG01950  Antithrombotic agent
  DG01708  Coumarin anticoagulant
   DG01761  Phenindion type coumarin derivative
Remark
ATC code: B01AA09
Efficacy
Anticoagulant, Vitamin K antagonist
Comment
Phenindione (indandione) 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
     B01AA09 Clorindione
      D07135  Clorindione (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Vitamin-K-epoxide reductase
    VKORC1
     D07135  Clorindione (INN)
BRITE hierarchy
Other DBs
CAS: 1146-99-2
PubChem: 51091474
ChEMBL: CHEMBL278519
LigandBox: D07135
NIKKAJI: J7.282F
LinkDB All DBs
KCF data Show

ATOM        18
            1   C8x C    12.5300  -17.8500
            2   C8x C    12.5300  -19.2500
            3   C8x C    13.7424  -19.9500
            4   C8y C    14.9549  -19.2500
            5   C8y C    14.9549  -17.8500
            6   C8x C    13.7424  -17.1500
            7   C5x C    16.2864  -19.6826
            8   C1y C    17.1093  -18.5500
            9   C5x C    16.2864  -17.4174
            10  O5x O    16.7175  -16.0906
            11  O5x O    16.7175  -21.0094
            12  C8y C    18.4800  -18.5500
            13  C8x C    19.1800  -19.7624
            14  C8x C    20.5800  -19.7624
            15  C8y C    21.2800  -18.5500
            16  C8x C    20.5800  -17.3376
            17  C8x C    19.1800  -17.3376
            18  X   Cl   22.6800  -18.5500
BOND        20
            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 1
            9     8   9 1
            10    5   9 1
            11    9  10 2
            12    7  11 2
            13    8  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   15  18 1

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