KEGG   DRUG: D04628Help
Entry
D04628                      Drug                                   

Name
Isomazole hydrochloride (USAN)
Formula
C14H13N3O2S. HCl
Exact mass
323.0495
Mol weight
323.7979
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Cardiotonic
Target
phosphodiesterase (PDE) 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
    Isomazole
     D04628  Isomazole hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
87359-33-9
PubChem: 
LigandBox: 
KCF data Show

ATOM        21
            1   C8y C    23.1193  -16.4372
            2   C8y C    23.1136  -15.0477
            3   N4x N    21.7998  -16.8732
            4   C8x C    24.3286  -17.1347
            5   N5x N    21.7939  -14.6233
            6   C8x C    24.3286  -14.3500
            7   C8y C    20.9742  -15.7453
            8   C8x C    25.5261  -16.4372
            9   N5x N    25.5261  -15.0477
            10  C8y C    19.6000  -15.7460
            11  C8x C    18.9011  -14.5369
            12  C8x C    17.5011  -14.5377
            13  C8y C    16.8017  -15.7505
            14  C8x C    17.5006  -16.9596
            15  C8y C    18.9006  -16.9588
            16  O2a O    19.5930  -18.1564
            17  C1a C    18.9068  -19.3463
            18  S4a S    15.4000  -15.7512
            19  O3c O    14.6988  -14.5382
            20  C1a C    14.7012  -16.9631
            21  X   Cl   28.4200  -15.7500
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     6   9 1
            9     5   7 2
            10    8   9 2
            11    7  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   15  16 1
            19   16  17 1
            20   13  18 1
            21   18  19 2
            22   18  20 1

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