KEGG   DRUG: D01445Help
Entry
D01445                      Drug                                   

Name
Ifenprodil tartrate (JP16);
Cerocral (TN)
Formula
(C21H27NO2)2. C4H6O6
Exact mass
800.4248
Mol weight
800.976
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Vasodilator
Remark
Therapeutic category: 
ATC code: 
Target
N-methyl-D-aspartate receptor (NMDA) NR2B-selective antagonist [HSA:2904] [KO:K05210];
alpha1-adrenergic receptor antagonist [HSA:146 147 148] [KO:K04137 K04136 K04135]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04724  Glutamatergic synapse  
 
Interaction
Drug interaction
Structure map
N-Metyl-D-aspartic acid receptor antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D01445  Ifenprodil tartrate (JP16)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AX Other peripheral vasodilators
     C04AX28 Ifenprodil
      D01445  Ifenprodil tartrate (JP16)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor [HSA:146 147 148] [KO:K04137 K04136 K04135]
     Ifenprodil [ATC:C04AX28]
      D01445  Ifenprodil tartrate (JP16)
 Ion channels
  Glutamate-gated cation channels
   Glutamate (ionotropic), NMDA
    N-methyl-D-aspartate receptor [HSA:2902 2903 2904 2905 2906] [KO:K05208 K05209 K05210 K05211 K05212]
     Ifenprodil [ATC:C04AX28]
      D01445  Ifenprodil tartrate (JP16)
BRITE hierarchy
Other DBs
CAS: 
23210-58-4
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        58
            1   C8x C    17.9900  -14.9100
            2   C8y C    17.9900  -16.3100
            3   C8x C    19.1800  -17.0100
            4   C8x C    20.4400  -16.3100
            5   C8y C    20.4400  -14.9100
            6   C8x C    19.1800  -14.2100
            7   C1c C    21.6300  -14.2100
            8   O1a O    16.8000  -17.0100
            9   C1c C    22.8200  -14.9100
            10  N1y N    24.0800  -14.2100
            11  C1a C    22.8200  -16.3100
            12  O1a O    21.6300  -12.8100
            13  C1x C    25.2700  -14.9100
            14  C1x C    26.4600  -14.2100
            15  C1y C    26.4600  -12.8100
            16  C1x C    25.2700  -12.1100
            17  C1x C    24.0800  -12.8100
            18  C1b C    27.7200  -12.1100
            19  C8y C    28.9100  -12.8100
            20  C8x C    28.9100  -14.2100
            21  C8x C    30.1000  -14.9100
            22  C8x C    31.3600  -14.2100
            23  C8x C    31.3600  -12.8100
            24  C8x C    30.1000  -12.1100
            25  O6a O    33.7631  -14.0706
            26  C6a C    34.9756  -14.7706
            27  C1c C    36.1881  -14.0706
            28  C1c C    37.4005  -14.7706
            29  C6a C    38.6131  -14.0706
            30  O6a O    39.8255  -14.7706
            31  O6a O    34.9756  -16.1705
            32  O1a O    36.1881  -12.6705
            33  O1a O    37.4005  -16.1706
            34  O6a O    38.6131  -12.6708
            35  C8x C    17.9900  -14.9100
            36  C8x C    19.1800  -14.2100
            37  C8y C    20.4400  -14.9100
            38  C8x C    20.4400  -16.3100
            39  C8x C    19.1800  -17.0100
            40  C8y C    17.9900  -16.3100
            41  O1a O    16.8000  -17.0100
            42  C1c C    21.6300  -14.2100
            43  O1a O    21.6300  -12.8100
            44  C1c C    22.8200  -14.9100
            45  C1a C    22.8200  -16.3100
            46  N1y N    24.0800  -14.2100
            47  C1x C    25.2700  -14.9100
            48  C1x C    26.4600  -14.2100
            49  C1y C    26.4600  -12.8100
            50  C1x C    25.2700  -12.1100
            51  C1x C    24.0800  -12.8100
            52  C1b C    27.7200  -12.1100
            53  C8y C    28.9100  -12.8100
            54  C8x C    28.9100  -14.2100
            55  C8x C    30.1000  -14.9100
            56  C8x C    31.3600  -14.2100
            57  C8x C    31.3600  -12.8100
            58  C8x C    30.1000  -12.1100
BOND        61
            1    25  26 1
            2    26  27 1
            3    27  28 1
            4    28  29 1
            5    29  30 1
            6    26  31 2
            7    27  32 1 #Down
            8    28  33 1 #Down
            9    29  34 2
            10    3   4 2
            11    9  11 1
            12   19  20 2
            13   20  21 1
            14   21  22 2
            15   22  23 1
            16   23  24 2
            17   24  19 1
            18    4   5 1
            19    7  12 1
            20    5   6 2
            21    6   1 1
            22    5   7 1
            23   10  13 1
            24   13  14 1
            25   14  15 1
            26   15  16 1
            27   16  17 1
            28   17  10 1
            29    2   8 1
            30   15  18 1
            31    1   2 2
            32   18  19 1
            33    7   9 1
            34    2   3 1
            35    9  10 1
            36   39  38 2
            37   44  45 1
            38   53  54 2
            39   54  55 1
            40   55  56 2
            41   56  57 1
            42   57  58 2
            43   58  53 1
            44   38  37 1
            45   42  43 1
            46   37  36 2
            47   36  35 1
            48   37  42 1
            49   46  47 1
            50   47  48 1
            51   48  49 1
            52   49  50 1
            53   50  51 1
            54   51  46 1
            55   40  41 1
            56   49  52 1
            57   35  40 2
            58   52  53 1
            59   42  44 1
            60   40  39 1
            61   44  46 1
BRACKET     1    15.4700  -17.6400   15.4700  -11.6900
            1    31.7800  -11.6900   31.7800  -17.6400
            1  2
 ORIGINAL  1    1   6   5   4   3   2   8   7  12   9  11  10  13  14  15  16
            1   17  18  19  20  21  22  23  24
 REPEAT    1   35  36  37  38  39  40  41  42  43  44  45  46  47  48  49  50
            1   51  52  53  54  55  56  57  58

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