KEGG   DRUG: Ladostigil tartrate
Entry
D03239                      Drug                                   

Name
Ladostigil tartrate (USAN)
Formula
(C16H20N2O2)2. C4H6O6
Exact mass
694.3214
Mol weight
694.7712
Structure
Class
Neuropsychiatric agent
 DG01568  MAO inhibitor
  DG01519  Non-selective monoamine oxidase inhibitor
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
Efficacy
Dementia therapeutic agent, Neuroprotectant, Acetylcholinesterase inhibitor, Monoamine oxidase (MAO) inhibitor
Comment
Treatment of Alzheimer's disease
Target
ACHE [HSA:43] [KO:K01049]
BCHE [HSA:590] [KO:K01050]
MAO [HSA:4128 4129] [KO:K00274]
  Pathway
hsa04725  Cholinergic synapse
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07216  Catecholamine transferase inhibitors
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Amine oxidases
    MAO
     D03239  Ladostigil tartrate (USAN)
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D03239  Ladostigil tartrate (USAN)
    BCHE
     D03239  Ladostigil tartrate (USAN)
Other DBs
CAS: 209394-46-7
PubChem: 17397392
LigandBox: D03239
LinkDB
KCF data

ATOM        50
            1   O6a O    33.8174  -14.2695
            2   C6a C    35.0293  -13.5699
            3   C1c C    36.2410  -14.2695
            4   C1c C    37.4529  -13.5699
            5   C6a C    38.6647  -14.2695
            6   O6a O    39.8764  -13.5699
            7   O6a O    38.6647  -15.6688
            8   O6a O    35.0293  -12.1707
            9   O1a O    37.4529  -12.1707
            10  O1a O    36.2410  -15.6688
            11  C8y C    25.7600  -14.0700
            12  C8y C    25.7600  -12.6000
            13  C8x C    24.5700  -11.9000
            14  C8x C    23.3100  -12.6000
            15  C8y C    23.3100  -14.0700
            16  C8x C    24.5700  -14.7700
            17  C1y C    27.0900  -14.4900
            18  C1x C    27.9300  -13.3700
            19  C1x C    27.0900  -12.1800
            20  N1b N    27.0900  -15.8900
            21  C1b C    28.3500  -16.5900
            22  C3b C    29.5400  -15.8900
            23  C3a C    30.6600  -15.1900
            24  O7a O    22.1200  -14.7000
            25  C7a C    20.9300  -14.0000
            26  N1c N    19.6700  -14.7000
            27  O6a O    20.9300  -12.6700
            28  C1b C    18.4800  -14.0000
            29  C1a C    17.2200  -14.7000
            30  C1a C    19.6700  -16.1700
            31  C8y C    25.7600  -14.0700
            32  C8y C    25.7600  -12.6000
            33  C8x C    24.5700  -11.9000
            34  C8x C    23.3100  -12.6000
            35  C8y C    23.3100  -14.0700
            36  C8x C    24.5700  -14.7700
            37  O7a O    22.1200  -14.7000
            38  C7a C    20.9300  -14.0000
            39  N1c N    19.6700  -14.7000
            40  C1b C    18.4800  -14.0000
            41  C1a C    17.2200  -14.7000
            42  C1a C    19.6700  -16.1700
            43  O6a O    20.9300  -12.6700
            44  C1x C    27.0900  -12.1800
            45  C1x C    27.9300  -13.3700
            46  C1y C    27.0900  -14.4900
            47  N1b N    27.0900  -15.8900
            48  C1b C    28.3500  -16.5900
            49  C3b C    29.5400  -15.8900
            50  C3a C    30.6600  -15.1900
BOND        51
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     5   7 2
            7     2   8 2
            8     4   9 1 #Up
            9     3  10 1 #Up
            10   11  12 2
            11   12  13 1
            12   13  14 2
            13   14  15 1
            14   15  16 2
            15   11  16 1
            16   11  17 1
            17   17  18 1
            18   18  19 1
            19   12  19 1
            20   17  20 1 #Up
            21   20  21 1
            22   21  22 1
            23   22  23 3
            24   15  24 1
            25   24  25 1
            26   25  26 1
            27   25  27 2
            28   26  28 1
            29   28  29 1
            30   26  30 1
            31   31  32 2
            32   32  33 1
            33   33  34 2
            34   34  35 1
            35   35  36 2
            36   31  36 1
            37   31  46 1
            38   46  45 1
            39   45  44 1
            40   32  44 1
            41   46  47 1 #Up
            42   47  48 1
            43   48  49 1
            44   49  50 3
            45   35  37 1
            46   37  38 1
            47   38  39 1
            48   38  43 2
            49   39  40 1
            50   40  41 1
            51   39  42 1
BRACKET     1    15.4000  -16.9400   15.4000  -11.5500
            1    31.8500  -11.5500   31.8500  -16.9400
            1  2
 ORIGINAL  1   11  12  13  14  15  16  24  25  26  28  29  30  27  19  18  17
            1   20  21  22  23
 REPEAT    1   31  32  33  34  35  36  37  38  39  40  41  42  43  44  45  46
            1   47  48  49  50

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