KEGG   DRUG: Homochlorcyclizine
Entry
D08041                      Drug                                   
Name
Homochlorcyclizine (INN)
Formula
C19H23ClN2
Exact mass
314.1550
Mol weight
314.85
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
Chemical structure group: DG01328
Efficacy
Antiallergic, H1 receptor antagonist
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Interaction
Structure map
map07212  Histamine H1 receptor antagonists
Brite
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01328  Homochlorcyclizine
     D08041  Homochlorcyclizine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D08041  Homochlorcyclizine (INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01328  Homochlorcyclizine
Other DBs
CAS: 848-53-3
PubChem: 96024734
LigandBox: D08041
NIKKAJI: J7.141B
LinkDB
KCF data

ATOM        22
            1   C1x C    22.7616  -13.8610
            2   C1x C    22.6076  -12.4741
            3   C1x C    23.5569  -11.4140
            4   N1y N    24.9822  -11.6067
            5   N1y N    23.9635  -14.5699
            6   C1x C    25.6848  -12.7501
            7   C1x C    25.2764  -14.1292
            8   C1a C    25.6911  -10.4048
            9   C8y C    22.6628  -16.6378
            10  C1c C    23.9264  -16.0060
            11  C8y C    25.1283  -16.7150
            12  C8x C    25.1613  -18.1511
            13  C8x C    26.2932  -18.8600
            14  C8y C    27.4967  -18.1929
            15  C8x C    27.5337  -16.7567
            16  C8x C    26.3318  -16.0478
            17  C8x C    21.4609  -15.9289
            18  C8x C    20.2574  -16.5960
            19  C8x C    20.1957  -17.9367
            20  C8x C    21.4577  -18.6810
            21  C8x C    22.6612  -18.0138
            22  X   Cl   28.6986  -18.9018
BOND        24
            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     4   8 1
            9     9  10 1
            10    5  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18    9  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23    9  21 1
            24   14  22 1

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KEGG   DRUG: Homochlorcyclizine hydrochloride
Entry
D01460                      Drug                                   
Name
Homochlorcyclizine hydrochloride (JP18);
Homochlorcyclizine dihydrochloride;
SA 97 dihydrochloride;
Homoclomin (TN)
Formula
C19H23ClN2. 2HCl
Exact mass
386.1083
Mol weight
387.77
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
Chemical structure group: DG01328
Efficacy
Antiallergic, H1 receptor antagonist
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Interaction
Structure map
map07212  Histamine H1 receptor antagonists
Brite
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01328  Homochlorcyclizine
     D01460  Homochlorcyclizine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D01460  Homochlorcyclizine hydrochloride (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01460  Homochlorcyclizine hydrochloride
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01328  Homochlorcyclizine
Other DBs
CAS: 1982-36-1
PubChem: 7848523
ChEBI: 31671
LigandBox: D01460
NIKKAJI: J1.962.282G
LinkDB
KCF data

ATOM        24
            1   X   Cl   30.8000  -16.9400
            2   C1x C    21.5600  -14.8400
            3   C1x C    21.4200  -13.5100
            4   C1x C    22.3300  -12.3900
            5   N1y N    23.8000  -12.6000
            6   N1y N    22.7500  -15.6100
            7   C1x C    24.5000  -13.7200
            8   C1x C    24.0800  -15.1200
            9   C1a C    24.5000  -11.4100
            10  C8y C    21.4900  -17.6400
            11  C1c C    22.7500  -17.0100
            12  C8y C    24.0100  -17.7100
            13  C8x C    24.0100  -19.1800
            14  C8x C    25.1300  -19.8800
            15  C8y C    26.3900  -19.1800
            16  C8x C    26.3900  -17.7800
            17  C8x C    25.2000  -17.0800
            18  C8x C    20.3000  -16.9400
            19  C8x C    19.1100  -17.6400
            20  C8x C    19.1100  -18.9700
            21  C8x C    20.3000  -19.6700
            22  C8x C    21.4900  -19.0400
            23  X   Cl   27.5800  -19.9500
            24  X   Cl   30.8000  -16.9400
BOND        24
            1     4   5 1
            2     2   6 1
            3     5   7 1
            4     3   4 1
            5     6   8 1
            6     2   3 1
            7     7   8 1
            8     5   9 1
            9    10  11 1
            10    6  11 1
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   12  17 1
            18   10  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   10  22 1
            24   15  23 1
BRACKET     1    29.2600  -17.7800   29.2600  -16.1000
            1    31.7100  -16.1000   31.7100  -17.7800
            1  2
 ORIGINAL  1    1
 REPEAT    1   24

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