KEGG   DRUG: MilrinoneHelp
Entry
D00417                      Drug                                   

Name
Milrinone (JAN/USP/INN);
Milrila (TN)
Formula
C12H9N3O
Exact mass
211.0746
Mol weight
211.2194
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01757  Amrinone type cardiotonic
 DG01507  Phosphodiesterase III inhibitor
  DG01757  Amrinone type cardiotonic
Remark
Same as: C07224
Therapeutic category: 2119
ATC code: C01CE02
Chemical structure group: DG00229
Product (DG00229): D00417<JP> D02085<US>
Efficacy
Cardiotonic, Phosphodiesterase 3 inhibitor
Comment
Amrinone derivative
Target
PDE3 [HSA:5139 5140] [KO:K19021 K13296]
  Pathway
hsa00230  Purine metabolism
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04371  Apelin signaling pathway
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CE Phosphodiesterase inhibitors
     C01CE02 Milrinone
      D00417  Milrinone (JAN/USP/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   211  Cardiotonics
    2119  Others
     D00417  Milrinone (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterase
    PDE3
     D00417  Milrinone (JAN/USP/INN) <JP>
BRITE hierarchy
Other DBs
CAS: 78415-72-2
PubChem: 7847483
ChEBI: 50693
ChEMBL: CHEMBL189
DrugBank: DB00235
PDB-CCD: MIL[PDBj]
LigandBox: D00417
NIKKAJI: J23.655A
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    25.7072  -17.3482
            2   C8y C    26.9190  -16.6491
            3   C8x C    24.5013  -16.6491
            4   C8y C    25.7072  -18.7463
            5   C8x C    28.1309  -17.3482
            6   C8x C    26.9190  -15.2508
            7   C8y C    23.2836  -17.3482
            8   N4x N    24.5013  -19.4514
            9   C1a C    26.9132  -19.4455
            10  C8x C    29.3485  -16.6608
            11  C8x C    28.1366  -14.5517
            12  C8y C    23.2836  -18.7463
            13  C3b C    22.0719  -16.6491
            14  N5x N    29.3485  -15.2508
            15  O5x O    22.0719  -19.4514
            16  N3a N    20.8600  -15.9500
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 1
            13   10  14 2
            14   12  15 2
            15   13  16 3
            16    8  12 1
            17   11  14 1

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