KEGG   DRUG: LevosimendanHelp
Entry
D04720                      Drug                                   

Name
Levosimendan (USAN/INN);
Simdax (TN)
Formula
C14H12N6O
Exact mass
280.1073
Mol weight
280.2847
Structure
Mol fileKCF fileDB search
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01758  Pimobendan type cardiotonic
 DG01507  Phosphodiesterase III inhibitor
  DG01758  Pimobendan type cardiotonic
Remark
ATC code: C01CX08
Efficacy
Cardiotonic, Phosphodiesterase inhibitor
Comment
Treatment of congestive heart failure (cardiotonic, positive inotrope, vasodilator)
Calcium sensitizer
Target
PDE3 [HSA:5139 5140] [KO:K19021 K13296]
  Pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04371  Apelin signaling pathway
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 (EC3)
   Phosphodiesterase
    PDE3
     D04720  Levosimendan (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 141505-33-1
PubChem: 47206545
ChEBI: 50567
ChEMBL: CHEMBL2051955
DrugBank: DB00922
LigandBox: D04720
NIKKAJI: J550.713H
LinkDB All DBs
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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