KEGG   DRUG: ToborinoneHelp
Entry
D01198                      Drug                                   

Name
Toborinone (JAN/USAN/INN)
Formula
C21H24N2O5
Exact mass
384.1685
Mol weight
384.4257
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01757  Amrinone type cardiotonic
 DG01507  Phosphodiesterase III inhibitor
  DG01757  Amrinone type cardiotonic
Activity
Cardiotonic, Phosphodiesterase inhibitor
Target
phosphodiesterase III [HSA:5139 5140] [KO:K19021 K13296]
  Pathway
Purine metabolism
Insulin signaling pathway
Progesterone-mediated oocyte maturation
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   phosphodiesterase (PDE) III
    Toborinone
     D01198  Toborinone (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
143343-83-3
PubChem: 
LigandBox: 
KCF data Show

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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