KEGG   DRUG: Diphenhydramine citrateHelp
Entry
D03854                      Drug                                   

Name
Diphenhydramine citrate (USP)
Formula
C17H21NO. C6H8O7
Exact mass
447.1893
Mol weight
447.4783
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Enzyme substrate
 DG01644  CYP2D6 substrate
Enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Transporter inhibitor
 DG02863  SLC22A2 (OCT2) inhibitor
Remark
ATC code: D04AA32 R06AA02
Chemical structure group: DG00390
Product (DG00390): D00300<JP> D00669<JP/US> D03360<JP>
Efficacy
Antiallergic, H1 receptor antagonist
Comment
Component of Advil PM (TN)
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug 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
      D03854  Diphenhydramine citrate (USP)
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AA Aminoalkyl ethers
     R06AA02 Diphenhydramine
      D03854  Diphenhydramine citrate (USP)
USP drug classification [BR:br08302]
 Antiemetics
  Antiemetics, Other
   Diphenhydramine
    D03854  Diphenhydramine citrate (USP)
 Respiratory Tract/Pulmonary Agents
  Antihistamines
   Diphenhydramine
    D03854  Diphenhydramine citrate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D03854  Diphenhydramine citrate (USP)
Rx-to-OTC switch list in the USA [br08315.html]
 D03854
BRITE hierarchy
Other DBs
CAS: 88637-37-0
PubChem: 17397939
ChEMBL: CHEMBL1201089
DrugBank: DB01075
LigandBox: D03854
NIKKAJI: J349.769K
LinkDB All DBs
KCF data Show

ATOM        32
            1   C1d C    36.2422  -15.4018
            2   C1b C    35.0410  -16.0923
            3   C1b C    37.4434  -16.0864
            4   C6a C    36.9267  -14.1946
            5   O1a O    35.5399  -14.1946
            6   C6a C    33.8455  -15.4075
            7   C6a C    37.4317  -17.4735
            8   O6a O    36.2248  -12.9878
            9   O6a O    38.3196  -14.1946
            10  O6a O    32.6444  -16.1040
            11  O6a O    33.9027  -14.0206
            12  O6a O    38.6332  -18.1697
            13  O6a O    36.2248  -18.1638
            14  C1c C    24.5247  -16.5156
            15  C8y C    23.3139  -17.2199
            16  C8y C    25.7415  -17.2199
            17  O2a O    24.5306  -15.1184
            18  C8x C    23.3139  -18.6230
            19  C8x C    22.1030  -16.5156
            20  C8x C    25.7358  -18.6230
            21  C8x C    26.9465  -16.5156
            22  C1b C    25.7415  -14.4140
            23  C8x C    22.1030  -19.3156
            24  C8x C    20.8862  -17.2199
            25  C8x C    26.9465  -19.3156
            26  C8x C    28.1632  -17.2199
            27  C8x C    20.8862  -18.6230
            28  C8x C    28.1573  -18.6230
            29  C1b C    26.9774  -15.1250
            30  N1c N    28.1739  -14.4316
            31  C1a C    29.3632  -15.1157
            32  C1a C    28.1717  -13.0227
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13   18  23 2
            14   19  24 1
            15   20  25 1
            16   21  26 2
            17   23  27 1
            18   25  28 2
            19   24  27 2
            20   26  28 1
            21   14  15 1
            22   14  16 1
            23   14  17 1
            24   15  18 1
            25   15  19 2
            26   16  20 2
            27   16  21 1
            28   17  22 1
            29   22  29 1
            30   29  30 1
            31   30  31 1
            32   30  32 1

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