KEGG   COMPOUND: C06971
Entry
C06971                      Compound                               
Name
Doxepin
Formula
C19H21NO
Exact mass
279.1623
Mol weight
279.3761
Structure
Remark
Same as: D07875
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
   D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
    D04AX Other antipruritics
     D04AX01 Doxepin
      D07875  Doxepin (INN)
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AA Non-selective monoamine reuptake inhibitors
     N06AA12 Doxepin
      D07875  Doxepin (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01730  Non-selective monoamine reuptake inhibitor
   DG00937  Doxepin
    D07875  Doxepin
  DG01728  Tricyclic antidepressant
   DG00937  Doxepin
    D07875  Doxepin
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00937  Doxepin
    D07875  Doxepin
  DG01642  CYP2C9 substrate
   DG00937  Doxepin
    D07875  Doxepin
  DG01639  CYP2C19 substrate
   DG00937  Doxepin
    D07875  Doxepin
  DG01644  CYP2D6 substrate
   DG00937  Doxepin
    D07875  Doxepin
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D07875  Doxepin (INN)
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D07875  Doxepin (INN)
    SLC6A4 (HTT)
     D07875  Doxepin (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07875
Other DBs
CAS: 1668-19-5
PubChem: 9185
ChEBI: 4710
PDB-CCD: 5EH[PDBj]
NIKKAJI: J9.508G
KCF data

ATOM        21
            1   C1x C    20.7200  -20.0200
            2   C8y C    19.8800  -18.9000
            3   C8y C    20.2300  -17.5700
            4   C2y C    21.4900  -17.0100
            5   O2x O    22.1200  -20.0200
            6   C8y C    22.7500  -17.6400
            7   C8y C    23.0300  -18.9700
            8   C8x C    19.2500  -16.5900
            9   C8x C    17.8500  -17.0100
            10  C8x C    17.5700  -18.3400
            11  C8x C    18.5500  -19.3200
            12  C8x C    24.3600  -19.3900
            13  C8x C    25.4100  -18.4800
            14  C8x C    25.1300  -17.1500
            15  C8x C    23.8000  -16.6600
            16  C2b C    21.4900  -15.5400
            17  C1b C    20.2300  -14.8400
            18  C1b C    19.0400  -15.5400
            19  N1c N    17.8500  -14.8400
            20  C1a C    16.6600  -15.5400
            21  C1a C    17.8500  -13.4400
BOND        23
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    6  15 2
            18    4  16 2
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 1

» Japanese version

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (7)   

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