KEGG   DRUG: Monatepil maleate
Entry
D01171                      Drug                                   
Name
Monatepil maleate (JAN/USAN)
Formula
C28H30FN3OS. C4H4O4
Exact mass
591.2203
Mol weight
591.69
Structure
Efficacy
Anti-anginal, Antihypertensive
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D01171  Monatepil maleate (JAN/USAN)
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D01171  Monatepil maleate (JAN/USAN)
Other DBs
CAS: 132046-06-1
PubChem: 7848234
ChEBI: 177480 31862
LigandBox: D01171
LinkDB
KCF data

ATOM        42
            1   C1y C    26.9365  -18.7658
            2   C1x C    26.2026  -21.8515
            3   S2x S    27.6174  -21.8616
            4   C8y C    28.2040  -19.3905
            5   C8y C    28.5118  -20.7702
            6   C8x C    29.8607  -21.1935
            7   C8x C    30.9018  -20.2370
            8   C8x C    30.5938  -18.8571
            9   C8x C    29.2449  -18.4338
            10  C8y C    25.3309  -20.7363
            11  C8y C    25.6646  -19.3649
            12  C8x C    24.6438  -18.3903
            13  C8x C    23.2893  -18.7872
            14  C8x C    22.9558  -20.1586
            15  C8x C    23.9767  -21.1330
            16  N1b N    26.9488  -17.3527
            17  C5a C    28.1788  -16.6570
            18  O5a O    28.1913  -15.2440
            19  C1b C    29.3962  -17.3743
            20  C1b C    30.6262  -16.6785
            21  C1b C    31.8437  -17.3958
            22  N1y N    33.0522  -16.7125
            23  C1x C    34.2567  -17.4225
            24  C1x C    35.4754  -16.7335
            25  N1y N    35.4880  -15.3336
            26  C1x C    34.2835  -14.6236
            27  C1x C    33.0648  -15.3126
            28  C8y C    36.7098  -14.6428
            29  C8x C    37.8881  -15.3375
            30  C8x C    39.1068  -14.6485
            31  C8y C    39.1196  -13.2486
            32  C8x C    37.9412  -12.5539
            33  C8x C    36.6525  -13.2429
            34  X   F    40.3542  -12.5508
            35  C6a C    39.6385  -20.2162
            36  C2b C    38.9634  -19.0515
            37  O6a O    39.0389  -21.4564
            38  O6a O    40.9891  -20.2099
            39  C2b C    37.3465  -19.0577
            40  C6a C    36.6775  -20.2285
            41  O6a O    35.3269  -20.2285
            42  O6a O    37.3590  -21.4625
BOND        45
            1     7   8 1
            2    19  20 1
            3     8   9 2
            4    20  21 1
            5     9   4 1
            6     2   3 1
            7    11   1 1
            8     1   4 1
            9    10   2 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  10 1
            16    5   3 1
            17    1  16 1
            18    4   5 2
            19   16  17 1
            20    5   6 1
            21   17  18 2
            22    6   7 2
            23   17  19 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 1
            31   25  28 1
            32   28  29 2
            33   29  30 1
            34   30  31 2
            35   31  32 1
            36   32  33 2
            37   28  33 1
            38   31  34 1
            39   35  36 1
            40   35  37 1
            41   35  38 2
            42   36  39 2
            43   39  40 1
            44   40  41 1
            45   40  42 2

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