KEGG   DRUG: Olprinone hydrochloride hydrate
Entry
D02042                      Drug                                   
Name
Olprinone hydrochloride hydrate (JAN);
Coretec (TN)
Formula
C14H10N4O. HCl. H2O
Exact mass
304.0727
Mol weight
304.7316
Structure
Simcomp
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01757  Amrinone type cardiotonic
 DG01507  Phosphodiesterase III inhibitor
  DG01757  Amrinone type cardiotonic
Remark
Therapeutic category: 2119
Chemical structure group: DG01396
Product (DG01396): D02042<JP>
Efficacy
Cardiotonic, Phosphodiesterase 3 inhibitor
Comment
Amrinone derivative
Target
PDE3 [HSA:5139 5140] [KO:K19021 K13296]
  Pathway
hsa00230  Purine metabolism
Interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   211  Cardiotonics
    2119  Others
     D02042  Olprinone hydrochloride hydrate (JAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01703  Cardiotonic
   DG01757  Amrinone type cardiotonic
    DG01396  Olprinone
     D02042  Olprinone hydrochloride hydrate
  DG01507  Phosphodiesterase III inhibitor
   DG01757  Amrinone type cardiotonic
    DG01396  Olprinone
     D02042  Olprinone hydrochloride hydrate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE3
     D02042  Olprinone hydrochloride hydrate (JAN) <JP>
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01703  Cardiotonic
   DG01757  Amrinone type cardiotonic
    DG01396  Olprinone
  DG01507  Phosphodiesterase III inhibitor
   DG01757  Amrinone type cardiotonic
    DG01396  Olprinone
Other DBs
PubChem: 7849104
LigandBox: D02042
LinkDB
KCF data

ATOM        21
            1   C8y C    23.9802  -18.6439
            2   C8y C    23.9802  -20.0460
            3   N4x N    25.1954  -20.7471
            4   C8y C    26.4106  -20.0460
            5   C8y C    26.4106  -18.6439
            6   C8x C    25.1954  -17.9428
            7   O5x O    22.7650  -20.7471
            8   C1a C    27.6257  -20.7471
            9   C3b C    22.7650  -17.9428
            10  N3a N    21.5498  -17.2418
            11  C8y C    27.6257  -17.9428
            12  C8x C    28.8409  -18.6439
            13  N4y N    30.0561  -17.9428
            14  C8y C    30.0561  -16.5407
            15  C8x C    28.8409  -15.8396
            16  C8x C    27.6257  -16.5407
            17  C8x C    31.3648  -18.3635
            18  C8x C    32.2061  -17.2418
            19  N5x N    31.3648  -16.1201
            20  X   Cl   32.3867  -20.3700
            21  O0  O    32.9000  -22.0500
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     2   7 2
            8     4   8 1
            9     1   9 1
            10    9  10 3
            11    5  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   13  17 1
            19   17  18 2
            20   18  19 1
            21   14  19 2

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