KEGG   DRUG: Inamrinone ethylenelactate
Entry
D02084                      Drug                                   
Name
Inamrinone ethylenelactate;
Amrinone ethylenelactate;
Inocor (TN)
Formula
C10H9N3O. (C3H6O3)x
Structure
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01757  Amrinone type cardiotonic
 DG01507  Phosphodiesterase III inhibitor
  DG01757  Amrinone type cardiotonic
Remark
ATC code: C01CE01
Chemical structure group: DG00228
Efficacy
Cardiotonic, Phosphodiesterase 3 inhibitor
Comment
Amrinone derivative
Target
PDE3 [HSA:5139 5140] [KO:K19021 K13296]
  Pathway
hsa00230  Purine metabolism
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04371  Apelin signaling pathway
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CE Phosphodiesterase inhibitors
     C01CE01 Amrinone
      D02084  Inamrinone ethylenelactate
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01703  Cardiotonic
   DG01757  Amrinone type cardiotonic
    DG00228  Amrinone
     D02084  Inamrinone ethylenelactate
  DG01507  Phosphodiesterase III inhibitor
   DG01757  Amrinone type cardiotonic
    DG00228  Amrinone
     D02084  Inamrinone ethylenelactate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE3
     D02084  Inamrinone ethylenelactate
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01703  Cardiotonic
   DG01757  Amrinone type cardiotonic
    DG00228  Amrinone
  DG01507  Phosphodiesterase III inhibitor
   DG01757  Amrinone type cardiotonic
    DG00228  Amrinone
Other DBs
CAS: 75898-90-7
PubChem: 7849145
ChEBI: 34536
LigandBox: D02084
NIKKAJI: J2.203.833H
LinkDB
KCF data

ATOM        20
            1   C8y C    14.0672  -16.4421
            2   C8y C    15.2967  -15.7630
            3   C8x C    12.8623  -15.7270
            4   C8x C    14.0534  -17.8437
            5   C8x C    15.3446  -14.3626
            6   C8x C    16.4814  -16.5024
            7   C8y C    11.6435  -16.4136
            8   N4x N    12.8267  -18.5280
            9   C8x C    16.5720  -13.7046
            10  C8x C    17.7870  -15.8465
            11  C8y C    11.6271  -17.8100
            12  N1a N    10.4389  -15.6985
            13  N5x N    17.7648  -14.4463
            14  O5x O    10.4085  -18.4966
            15  C1b C    23.2505  -17.4553
            16  C6a C    24.4599  -16.7540
            17  C1b C    22.0347  -16.7540
            18  O6a O    25.6694  -17.4553
            19  O6a O    24.4534  -15.3517
            20  O1a O    20.8253  -17.4553
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     6  10 1
            10    7  11 1
            11    7  12 1
            12    9  13 1
            13   11  14 2
            14    8  11 1
            15   10  13 2
            16   15  16 1
            17   15  17 1
            18   16  18 1
            19   16  19 2
            20   17  20 1
BRACKET     1    19.4600  -18.3400   19.4600  -14.3500
            1    26.9500  -14.3500   26.9500  -18.3400
            1  x
 ORIGINAL  1   15  16  17  18  19  20
 REPEAT    1

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