KEGG   DRUG: Toborinone
Entry
D01198                      Drug                                   
Name
Toborinone (JAN/USAN/INN)
Formula
C21H24N2O5
Exact mass
384.1685
Mol weight
384.42
Structure
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01757  Amrinone type cardiotonic
 DG01507  Phosphodiesterase III inhibitor
  DG01757  Amrinone type cardiotonic
Efficacy
Cardiotonic, Phosphodiesterase inhibitor
Target
PDE3 [HSA:5139 5140] [KO:K19021 K13296]
Interaction
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01703  Cardiotonic
   DG01757  Amrinone type cardiotonic
    D01198  Toborinone
  DG01507  Phosphodiesterase III inhibitor
   DG01757  Amrinone type cardiotonic
    D01198  Toborinone
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE3
     D01198  Toborinone (JAN/USAN/INN)
Other DBs
CAS: 143343-83-3
PubChem: 7848261
ChEBI: 32236
LigandBox: D01198
LinkDB
KCF data

ATOM        28
            1   C8x C    14.9924  -18.9820
            2   C8y C    14.9924  -17.5813
            3   C8x C    13.8019  -16.8810
            4   C8x C    13.8019  -19.6823
            5   C8y C    12.6113  -18.9820
            6   C8y C    12.6113  -17.5813
            7   C8x C    11.3507  -16.8810
            8   C8x C    10.1601  -17.5813
            9   C8y C    10.1601  -18.9820
            10  N4x N    11.3507  -19.6823
            11  O5x O     8.9694  -19.6823
            12  O2a O    16.2530  -16.8810
            13  C1b C    17.4436  -17.5813
            14  C1c C    18.6342  -16.8810
            15  C1b C    19.8949  -17.5813
            16  N1b N    21.0855  -16.8810
            17  C1b C    22.2761  -17.5813
            18  C8y C    23.4667  -16.8810
            19  O1a O    18.6342  -15.4803
            20  C8x C    24.7273  -17.5813
            21  C8x C    25.9178  -16.8810
            22  C8y C    25.9178  -15.4803
            23  C8y C    24.7273  -14.7799
            24  C8x C    23.4667  -15.4803
            25  O2a O    24.7273  -13.3792
            26  C1a C    25.9178  -12.6788
            27  O2a O    27.1084  -14.7799
            28  C1a C    28.3690  -15.4803
BOND        30
            1     3   6 2
            2    13  14 1
            3     5   4 2
            4    14  15 1
            5     4   1 1
            6    15  16 1
            7     5   6 1
            8    16  17 1
            9     6   7 1
            10   17  18 1
            11    7   8 2
            12   14  19 1
            13    8   9 1
            14    9  10 1
            15   10   5 1
            16    9  11 2
            17   18  20 2
            18   20  21 1
            19   21  22 2
            20   22  23 1
            21   23  24 2
            22   24  18 1
            23    1   2 2
            24   23  25 1
            25    2  12 1
            26   25  26 1
            27    2   3 1
            28   22  27 1
            29   12  13 1
            30   27  28 1

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