KEGG   COMPOUND: C01453
Entry
C01453                      Compound                               
Name
Tacrine
Formula
C13H14N2
Exact mass
198.1157
Mol weight
198.2637
Structure
Remark
Same as: D08555
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06D ANTI-DEMENTIA DRUGS
    N06DA Anticholinesterases
     N06DA01 Tacrine
      D08555  Tacrine (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01595  Cholinesterase inhibitor
   DG01593  Acetylcholinesterase inhibitor
    DG00982  Tacrine
     D08555  Tacrine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00982  Tacrine
    D08555  Tacrine
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D08555  Tacrine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08555
Other DBs
CAS: 321-64-2
PubChem: 4630
ChEBI: 45980
PDB-CCD: THA[PDBj]
NIKKAJI: J5.670G
KCF data

ATOM        15
            1   C8y C    20.8984  -17.5463
            2   C8y C    20.8984  -16.1535
            3   N5x N    22.1138  -18.2425
            4   C8x C    19.6894  -18.2488
            5   C8y C    22.1073  -15.4446
            6   C8x C    19.6894  -15.4637
            7   C8y C    23.3290  -17.5525
            8   C8x C    18.4993  -17.5463
            9   C8y C    23.3227  -16.1473
            10  N1a N    22.1011  -14.0712
            11  C8x C    18.4993  -16.1535
            12  C1x C    24.5633  -18.2488
            13  C1x C    24.5379  -15.4193
            14  C1x C    25.7913  -17.5398
            15  C1x C    25.7660  -16.1220
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

» Japanese version

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (11)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   MASSBANK (6)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (12)   

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