KEGG   DRUG: D01198Help
Entry
D01198                      Drug                                   

Name
Toborinone (JAN/USAN/INN)
Formula
C21H24N2O5
Exact mass
384.1685
Mol weight
384.4257
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Cardiotonic
Remark
Drug group: 
Target
phosphodiesterase III inhibitor [HSA:5139 5140] [KO:K13296]
  Pathway
hsa00230  Purine metabolism
hsa04910  Insulin signaling pathway
hsa04914  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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