Diphenhydramine


Entry
D00300                      Drug                                   
Name
Diphenhydramine (JP18/INN);
Restamin (TN)
Formula
C17H21NO
Exact mass
255.1623
Mol weight
255.3547
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
Same as: C06960
Therapeutic category: 2642
ATC code: D04AA32 R06AA02
Chemical structure group: DG00390
Product (DG00390): D00300<JP> D00669<JP/US> D03360<JP> D00520<JP/US>
Efficacy
Antiallergic, H1 receptor antagonist
Comment
Diphenhydramine derivative
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07028  Antipsychotics
map07032  Hypnotics
map07212  Histamine H1 receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
   D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
    D04AA Antihistamines for topical use
     D04AA32 Diphenhydramine
      D00300  Diphenhydramine (JP18/INN) <JP>
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AA Aminoalkyl ethers
     R06AA02 Diphenhydramine
      D00300  Diphenhydramine (JP18/INN) <JP>
USP drug classification [BR:br08302]
 Antiparkinson Agents
  Anticholinergics
   Diphenhydramine
    D00300  Diphenhydramine (JP18/INN)
 Respiratory Tract/Pulmonary Agents
  Antihistamines
   Histamine (H1) Receptor Antagonists, Sedating
    Diphenhydramine
     D00300  Diphenhydramine (JP18/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   264  Analgesics, anti-itchings, astringents, anti-inflammatory agents
    2642  Antihistamines for external use
     D00300  Diphenhydramine (JP18/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  57 Analgesic, antipruritic, astringent, and anti-inflammatory remedies (incl. gel patches)
   D00300  Diphenhydramine (JP18/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Diphenhydramine
    D00300  Diphenhydramine (JP18/INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Diphenhydramine
    D00300  Diphenhydramine (JP18/INN)
 Third-class OTC drugs
  Inorganic and organic chemicals
   Diphenhydramine
    D00300  Diphenhydramine (JP18/INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00390  Diphenhydramine
     D00300  Diphenhydramine
Drug classes [BR:br08332]
 Anti-allergic agent
  DG01482  Histamine receptor H1 antagonist
   D00300  Diphenhydramine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D00300  Diphenhydramine (JP18/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00300  Diphenhydramine
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00390  Diphenhydramine
Other DBs
CAS: 58-73-1
PubChem: 7847366
ChEBI: 4636
PDB-CCD: 2PM[PDBj]
LigandBox: D00300
NIKKAJI: J1.390K
KCF data

ATOM        19
            1   C1c C    30.1190  -16.7924
            2   C8y C    28.9084  -17.4966
            3   C8y C    31.3355  -17.4966
            4   O2a O    30.1249  -15.3955
            5   C8x C    28.9084  -18.8994
            6   C8x C    27.6977  -16.7924
            7   C8x C    31.3298  -18.8994
            8   C8x C    32.5403  -16.7924
            9   C1b C    31.3355  -14.6912
            10  C8x C    27.6977  -19.5919
            11  C8x C    26.4812  -17.4966
            12  C8x C    32.5403  -19.5919
            13  C8x C    33.7568  -17.4966
            14  C8x C    26.4812  -18.8994
            15  C8x C    33.7509  -18.8994
            16  C1b C    32.5712  -15.4021
            17  N1c N    33.7675  -14.7088
            18  C1a C    34.9566  -15.3928
            19  C1a C    33.7653  -13.3002
BOND        20
            1     5  10 2
            2     6  11 1
            3     7  12 1
            4     8  13 2
            5    10  14 1
            6    12  15 2
            7    11  14 2
            8    13  15 1
            9     1   2 1
            10    1   3 1
            11    1   4 1
            12    2   5 1
            13    2   6 2
            14    3   7 2
            15    3   8 1
            16    4   9 1
            17    9  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 1