KEGG   DRUG: D09918Help
Entry
D09918                      Drug                                   

Name
Latrepirdine dihydrochloride (USAN);
Dimebolin;
Dimebon
Formula
C21H25N3. 2HCl
Exact mass
391.1582
Mol weight
392.3652
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of Alzheimer's disease
Target
acetylcholinesterase (AChE) inhibitor [HSA:43] [KO:K01049];
N-methyl-D-aspartate receptor antagonist [HSA:2902 2903 2904 2905 2906] [KO:K05208 K05209 K05210 K05211 K05212];
H1-receptor antagonist [HSA:3269] [KO:K04149];
5-HT6-receptor antagonist [HSA:3362] [KO:K04162]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
hsa04725  Cholinergic synapse
hsa05010  Alzheimer's disease  
 
Structure map
Agents for Alzheimer-type dementia
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Glutamate-gated cation channels
   Glutamate (ionotropic), NMDA
    N-methyl-D-aspartate receptor
     Latrepirdine
      D09918  Latrepirdine dihydrochloride (USAN)
 Enzymes
  Hydrolases
   acetylcholinesterase (AChE)
    Latrepirdine
     D09918  Latrepirdine dihydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
97657-92-6
PubChem: 
LigandBox: 
KCF data Show

ATOM        26
            1   X   Cl   30.5200  -20.5100
            2   C8y C    24.2900  -24.1500
            3   C8y C    25.6900  -24.1500
            4   C8y C    26.1100  -22.7500
            5   N4y N    24.9200  -21.9800
            6   C8y C    23.8000  -22.8200
            7   C8x C    26.6700  -25.1300
            8   C8y C    28.0000  -24.7800
            9   C8x C    28.4200  -23.4500
            10  C8x C    27.4400  -22.4000
            11  C1x C    22.4700  -22.6100
            12  C1x C    21.5600  -23.6600
            13  N1y N    22.0500  -24.9900
            14  C1x C    23.3800  -25.2000
            15  C1b C    24.8500  -20.5800
            16  C1b C    26.1100  -19.8100
            17  C8y C    26.1100  -18.4100
            18  C8x C    27.3700  -17.7100
            19  N5x N    27.3700  -16.3100
            20  C8y C    26.1100  -15.6100
            21  C8x C    24.9200  -16.3100
            22  C8x C    24.9200  -17.7100
            23  C1a C    26.1100  -14.2100
            24  C1a C    28.9800  -25.7600
            25  C1a C    21.1400  -26.0400
            26  X   Cl   30.5200  -20.5100
BOND        27
            1     2   3 1
            2     3   4 2
            3     4   5 1
            4     5   6 1
            5     2   6 2
            6     3   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10    4  10 1
            11    6  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    2  14 1
            16    5  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   17  22 2
            25   20  23 1
            26    8  24 1
            27   13  25 1
BRACKET     1    29.4000  -21.0700   29.4000  -19.6700
            1    31.1500  -19.6700   31.1500  -21.0700
            1  2
 ORIGINAL  1    1
 REPEAT    1   26

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