KEGG   DRUG: Ladostigil tartrateHelp
Entry
D03239                      Drug                                   

Name
Ladostigil tartrate (USAN)
Formula
(C16H20N2O2)2. C4H6O6
Exact mass
694.3214
Mol weight
694.7712
Structure
Mol fileKCF fileDB search
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
Drug 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)
BRITE hierarchy
Other DBs
CAS: 209394-46-7
PubChem: 17397392
LigandBox: D03239
LinkDB All DBs
KCF data Show

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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