KEGG   DRUG: DoxylamineHelp
Entry
D07878                      Drug                                   

Name
Doxylamine (INN)
Formula
C17H22N2O
Exact mass
270.1732
Mol weight
270.3694
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
ATC code: R06AA09
Chemical structure group: DG01096
Efficacy
Antiallergic, Sedative-hypnotic, H1 receptor antagonist
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Interaction
Drug interaction
Structure map
map07212  Histamine H1 receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AA Aminoalkyl ethers
     R06AA09 Doxylamine
      D07878  Doxylamine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D07878  Doxylamine (INN)
BRITE hierarchy
Other DBs
CAS: 469-21-6
PubChem: 96024574
ChEBI: 51380
ChEMBL: CHEMBL1004
DrugBank: DB00366
LigandBox: D07878
NIKKAJI: J5.925K
LinkDB All DBs
KCF data Show

ATOM        20
            1   C1d C    23.5900  -18.2700
            2   C8y C    22.4000  -18.9700
            3   C8y C    24.8500  -18.9700
            4   O2a O    23.5900  -16.8700
            5   C8x C    22.4000  -20.3700
            6   C8x C    21.1400  -18.3400
            7   N5x N    26.1100  -18.2700
            8   C8x C    24.8500  -20.3700
            9   C1b C    24.7800  -16.1700
            10  C8x C    21.2800  -21.1400
            11  C8x C    19.9500  -19.0400
            12  C8x C    27.3000  -19.0400
            13  C8x C    26.0400  -21.1400
            14  C8x C    19.9500  -20.5100
            15  C8x C    27.3000  -20.4400
            16  C1a C    22.4000  -17.5700
            17  C1b C    25.9700  -16.8000
            18  N1c N    27.1600  -16.1000
            19  C1a C    28.3500  -16.8000
            20  C1a C    27.0900  -14.7000
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 2
            13   10  14 2
            14   12  15 2
            15   11  14 1
            16   13  15 1
            17    1  16 1
            18    9  17 1
            19   17  18 1
            20   18  19 1
            21   18  20 1

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