KEGG   DRUG: TacrineHelp
Entry
D08555                      Drug                                   

Name
Tacrine (INN);
Tacrinal (TN)
Formula
C13H14N2
Exact mass
198.1157
Mol weight
198.2637
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
 DG01968  Agents for Alzheimer-type dementia
Enzyme substrate
 DG01892  CYP1A2 substrate
Remark
Same as: C01453
ATC code: N06DA01
Chemical structure group: DG00982
Efficacy
Antidote, Curare antagonist, Dementia therapeutic agent, Acetylcholinesterase inhibitor
Comment
Acridine derivative
Target
ACHE [HSA:43] [KO:K01049]
  Pathway
hsa00564  Glycerophospholipid metabolism
hsa04725  Cholinergic synapse
Metabolism
Enzyme: CYP1A2 [HSA:1544]
Interaction
Drug interaction
Structure map
map07056  Agents for Alzheimer-type dementia
map07220  Cholinergic and anticholinergic drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06D ANTI-DEMENTIA DRUGS
    N06DA Anticholinesterases
     N06DA01 Tacrine
      D08555  Tacrine (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D08555  Tacrine (INN)
BRITE hierarchy
Other DBs
CAS: 321-64-2
PubChem: 96025240
ChEBI: 45980
ChEMBL: CHEMBL95
DrugBank: DB00382
PDB-CCD: THA[PDBj]
LigandBox: D08555
NIKKAJI: J5.670G
KCF data Show

ATOM        15
            1   C8y C    22.9600  -19.3200
            2   C8y C    22.9600  -17.9200
            3   N5x N    24.1500  -20.0200
            4   C8x C    21.7000  -20.0200
            5   C8y C    24.1500  -17.2200
            6   C8x C    21.7000  -17.2200
            7   C8y C    25.3400  -19.3200
            8   C8x C    20.5100  -19.3200
            9   C8y C    25.3400  -17.9200
            10  N1a N    24.1500  -15.8200
            11  C8x C    20.5100  -17.9200
            12  C1x C    26.6000  -20.0200
            13  C1x C    26.6000  -17.1500
            14  C1x C    27.7900  -19.3200
            15  C1x C    27.7900  -17.8500
BOND        17
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    9  13 1
            13   12  14 1
            14   13  15 1
            15    7   9 1
            16    8  11 1
            17   14  15 1

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KEGG   DRUG: Tacrine hydrochlorideHelp
Entry
D02068                      Drug                                   

Name
Tacrine hydrochloride (USP);
Cognex (TN)
Formula
C13H14N2. HCl
Exact mass
234.0924
Mol weight
234.7246
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
 DG01968  Agents for Alzheimer-type dementia
Enzyme substrate
 DG01892  CYP1A2 substrate
Remark
ATC code: N06DA01
Chemical structure group: DG00982
Efficacy
Dementia therapeutic agent, Acetylcholinesterase inhibitor
Comment
Acridine derivative
Cognition adjuvant, Dementia symptoms treatment adjunct
Target
ACHE [HSA:43] [KO:K01049]
  Pathway
hsa00564  Glycerophospholipid metabolism
hsa04725  Cholinergic synapse
Metabolism
Enzyme: CYP1A2 [HSA:1544]
Interaction
Drug interaction
Structure map
map07056  Agents for Alzheimer-type dementia
map07220  Cholinergic and anticholinergic drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06D ANTI-DEMENTIA DRUGS
    N06DA Anticholinesterases
     N06DA01 Tacrine
      D02068  Tacrine hydrochloride (USP)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D02068  Tacrine hydrochloride (USP)
BRITE hierarchy
Other DBs
CAS: 1684-40-8
PubChem: 7849130
ChEMBL: CHEMBL1677
DrugBank: DB00382
LigandBox: D02068
NIKKAJI: J237.894I
KCF data Show

ATOM        16
            1   C8y C    30.8048  -18.5255
            2   C8y C    30.8048  -17.1322
            3   N5x N    32.0124  -19.2221
            4   C8x C    29.5974  -19.2221
            5   C8y C    32.0124  -16.4356
            6   C8x C    29.5974  -16.4356
            7   C8y C    33.2199  -18.5255
            8   C8x C    28.3897  -18.5255
            9   C8y C    33.2199  -17.1322
            10  N1a N    32.0124  -15.0887
            11  C8x C    28.3897  -17.1322
            12  C1x C    34.4275  -19.2221
            13  C1x C    34.4275  -16.3892
            14  C1x C    35.6814  -18.5255
            15  C1x C    35.6816  -17.0858
            16  X   Cl   38.3993  -17.5338
BOND        17
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    9  13 1
            13   12  14 1
            14   13  15 1
            15    7   9 1
            16    8  11 1
            17   14  15 1

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