KEGG   DRUG: LatrepirdineHelp
Entry
D09917                      Drug                                   

Name
Latrepirdine (USAN/INN)
Formula
C21H25N3
Exact mass
319.2048
Mol weight
319.4433
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
 DG01498  NMDA receptor antagonist
 DG01968  Agents for Alzheimer-type dementia
Remark
Chemical structure group: DG01379
Efficacy
Dementia therapeutic agent, Acetylcholinesterase inhibitor, NMDA receptor antagonist
Comment
Treatment of Alzheimer's disease
Target
ACHE [HSA:43] [KO:K01049]
GRIN (NMDAR) [HSA:2902 2903 2904 2905 2906] [KO:K05208 K05209 K05210 K05211 K05212]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
hsa04725  Cholinergic synapse
Interaction
Drug interaction
Structure map
map07056  Agents for Alzheimer-type dementia
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D09917  Latrepirdine (USAN/INN)
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D09917  Latrepirdine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 3613-73-8
PubChem: 135626654
ChEMBL: CHEMBL589390
LigandBox: D09917
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C    19.9065  -28.4433
            2   C8y C    21.3057  -28.3959
            3   C8y C    21.6930  -27.0505
            4   N4y N    20.5331  -26.2664
            5   C8y C    19.4290  -27.1272
            6   C8x C    22.2771  -29.4040
            7   C8y C    23.6359  -29.0667
            8   C8x C    24.0232  -27.7213
            9   C8x C    23.0517  -26.7132
            10  C1x C    18.0505  -26.8826
            11  C1x C    17.1495  -27.9541
            12  N1y N    17.6270  -29.2702
            13  C1x C    19.0054  -29.5148
            14  C1b C    20.4855  -24.8502
            15  C1b C    21.6913  -24.0987
            16  C8y C    21.7134  -22.6811
            17  C8x C    22.9268  -22.0054
            18  N5x N    22.9485  -20.6056
            19  C8y C    21.7470  -19.8869
            20  C8x C    20.5336  -20.5626
            21  C8x C    20.5119  -21.9624
            22  C1a C    21.7687  -18.4800
            23  C1a C    24.6103  -30.0780
            24  C1a C    16.7364  -30.3293
BOND        27
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     2   6 1
            7     6   7 2
            8     7   8 1
            9     8   9 2
            10    3   9 1
            11    5  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    1  13 1
            16    4  14 1
            17   14  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   16  21 2
            25   19  22 1
            26    7  23 1
            27   12  24 1

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KEGG   DRUG: Latrepirdine dihydrochlorideHelp
Entry
D09918                      Drug                                   

Name
Latrepirdine dihydrochloride (USAN);
Dimebolin;
Dimebon
Formula
C21H25N3. 2HCl
Exact mass
391.1582
Mol weight
392.3652
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
 DG01498  NMDA receptor antagonist
 DG01968  Agents for Alzheimer-type dementia
Remark
Chemical structure group: DG01379
Efficacy
Dementia therapeutic agent, Acetylcholinesterase inhibitor, NMDA receptor antagonist
Comment
Treatment of Alzheimer's disease
Target
ACHE [HSA:43] [KO:K01049]
GRIN (NMDAR) [HSA:2902 2903 2904 2905 2906] [KO:K05208 K05209 K05210 K05211 K05212]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
hsa04725  Cholinergic synapse
Interaction
Drug interaction
Structure map
map07056  Agents for Alzheimer-type dementia
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D09918  Latrepirdine dihydrochloride (USAN)
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D09918  Latrepirdine dihydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 97657-92-6
PubChem: 135626655
ChEMBL: CHEMBL2105703
LigandBox: D09918
LinkDB All DBs
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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