KEGG   DRUG: D04720Help
Entry
D04720                      Drug                                   

Name
Levosimendan (USAN/INN);
Simdax (TN)
Formula
C14H12N6O
Exact mass
280.1073
Mol weight
280.2847
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of congestive heart failure [cardiotonic;
positive inotrope;
vasodilator]
Remark
ATC code: 
Target
phosphodiesterase (PDE) III inhibitor [HSA:5139 5140] [KO:K13296]
  Pathway
hsa00230  Purine metabolism
hsa04910  Insulin signaling pathway
hsa04914  Progesterone-mediated oocyte maturation  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CX Other cardiac stimulants
     C01CX08 Levosimendan
      D04720  Levosimendan (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   phosphodiesterase (PDE) III
    Levosimendan
     D04720  Levosimendan (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
141505-33-1
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        21
            1   C8y C    21.3500  -17.5000
            2   C8x C    21.3500  -18.9000
            3   C8x C    20.1600  -19.6000
            4   C8y C    18.9000  -18.9000
            5   C8x C    18.9000  -17.5000
            6   C8x C    20.1600  -16.8000
            7   C2y C    17.7100  -19.6000
            8   N2x N    17.7100  -21.0000
            9   N1x N    16.4500  -21.7000
            10  C5x C    15.2600  -21.0000
            11  C1x C    15.2600  -19.6000
            12  C1y C    16.4500  -18.9000
            13  N1b N    22.5400  -16.8000
            14  O5x O    14.0447  -21.6951
            15  C1a C    16.4328  -17.5001
            16  N2b N    23.7581  -17.4901
            17  C2c C    24.9395  -16.7950
            18  C3b C    26.1449  -17.4780
            19  C3b C    24.9281  -15.4000
            20  N3a N    24.9281  -14.0000
            21  N3a N    27.3573  -18.1780
BOND        22
            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   10  11 1
            12   11  12 1
            13    7  12 1
            14    1  13 1
            15   10  14 2
            16   12  15 1 #Up
            17   13  16 1
            18   16  17 2
            19   17  18 1
            20   17  19 1
            21   19  20 3
            22   18  21 3

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