KEGG   DRUG: Cyclizine
Entry
D03621                      Drug                                   
Name
Cyclizine (INN)
Formula
C18H22N2
Exact mass
266.1783
Mol weight
266.38
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
Same as: C06930
ATC code: R06AE03
Chemical structure group: DG01105
Efficacy
Anti-emetic, 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
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AE Piperazine derivatives
     R06AE03 Cyclizine
      D03621  Cyclizine (INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01105  Cyclizine
     D03621  Cyclizine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D03621  Cyclizine (INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01105  Cyclizine
Other DBs
CAS: 82-92-8
PubChem: 17397725
ChEBI: 3994
LigandBox: D03621
NIKKAJI: J4.621C
LinkDB
KCF data

ATOM        20
            1   C8x C     3.0800  -20.4400
            2   C8x C     3.0800  -21.8400
            3   C8x C     4.2924  -22.5400
            4   C8x C     5.5049  -21.8400
            5   C8y C     5.5049  -20.4400
            6   C8x C     4.2924  -19.7400
            7   C8x C     7.9297  -21.8400
            8   C8y C     7.9297  -20.4400
            9   C1c C     6.7173  -19.7400
            10  C8x C     9.1422  -22.5400
            11  C8x C    10.3546  -21.8400
            12  C8x C    10.3546  -20.4400
            13  C8x C     9.1422  -19.7400
            14  N1y N     6.7173  -18.3400
            15  C1x C     7.9318  -17.6388
            16  C1x C     7.9318  -16.2388
            17  N1y N     6.7193  -15.5388
            18  C1x C     5.5049  -16.2400
            19  C1x C     5.5049  -17.6400
            20  C1a C     6.7193  -14.1400
BOND        22
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   14  19 1
            22   17  20 1

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KEGG   DRUG: Cyclizine lactate
Entry
D02090                      Drug                                   
Name
Cyclizine lactate (BAN);
Marezine (TN)
Formula
C18H22N2. C3H6O3
Exact mass
356.2100
Mol weight
356.46
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
ATC code: R06AE03
Chemical structure group: DG01105
Efficacy
Anti-emetic, 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
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AE Piperazine derivatives
     R06AE03 Cyclizine
      D02090  Cyclizine lactate (BAN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01105  Cyclizine
     D02090  Cyclizine lactate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D02090  Cyclizine lactate (BAN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01105  Cyclizine
Other DBs
CAS: 5897-19-8
PubChem: 7849151
LigandBox: D02090
NIKKAJI: J244.851C
LinkDB
KCF data

ATOM        26
            1   O1a O    28.5600  -15.2599
            2   C1c C    29.7723  -15.9599
            3   C6a C    30.9848  -15.2599
            4   O6a O    32.1972  -15.9599
            5   C1a C    29.7723  -17.3600
            6   O6a O    30.9848  -13.8599
            7   C8x C    20.0896  -17.2876
            8   C8x C    20.0896  -18.6875
            9   C8x C    21.3019  -19.3874
            10  C8x C    22.5143  -18.6875
            11  C8y C    22.5143  -17.2876
            12  C8x C    21.3019  -16.5877
            13  C8x C    24.9388  -18.6875
            14  C8y C    24.9388  -17.2876
            15  C1c C    23.7265  -16.5877
            16  C8x C    26.1511  -19.3874
            17  C8x C    27.3634  -18.6875
            18  C8x C    27.3634  -17.2876
            19  C8x C    26.1511  -16.5877
            20  N1y N    23.7265  -15.1879
            21  C1x C    24.9409  -14.4868
            22  C1x C    24.9409  -13.0869
            23  N1y N    23.7285  -12.3870
            24  C1x C    22.5143  -13.0881
            25  C1x C    22.5143  -14.4880
            26  C1a C    23.7285  -10.9884
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     2   5 1
            5     3   6 2
            6     7   8 2
            7     8   9 1
            8     9  10 2
            9    10  11 1
            10   11  12 2
            11    7  12 1
            12   13  14 1
            13   14  15 1
            14   11  15 1
            15   13  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   14  19 2
            20   15  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   20  25 1
            27   23  26 1

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KEGG   DRUG: Cyclizine hydrochloride
Entry
D03622                      Drug                                   
Name
Cyclizine hydrochloride (USP)
Formula
C18H22N2. HCl
Exact mass
302.1550
Mol weight
302.84
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
ATC code: R06AE03
Chemical structure group: DG01105
Efficacy
Anti-emetic, 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
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AE Piperazine derivatives
     R06AE03 Cyclizine
      D03622  Cyclizine hydrochloride (USP)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01105  Cyclizine
     D03622  Cyclizine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D03622  Cyclizine hydrochloride (USP)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01105  Cyclizine
Other DBs
CAS: 303-25-3
PubChem: 17397726
ChEBI: 51045
LigandBox: D03622
NIKKAJI: J610.763J
LinkDB
KCF data

ATOM        21
            1   X   Cl   29.2600  -15.7500
            2   C8x C    20.3696  -17.3576
            3   C8x C    20.3696  -18.7575
            4   C8x C    21.5819  -19.4574
            5   C8x C    22.7943  -18.7575
            6   C8y C    22.7943  -17.3576
            7   C8x C    21.5819  -16.6577
            8   C8x C    25.2188  -18.7575
            9   C8y C    25.2188  -17.3576
            10  C1c C    24.0065  -16.6577
            11  C8x C    26.4311  -19.4574
            12  C8x C    27.6434  -18.7575
            13  C8x C    27.6434  -17.3576
            14  C8x C    26.4311  -16.6577
            15  N1y N    24.0065  -15.2579
            16  C1x C    25.2209  -14.5568
            17  C1x C    25.2209  -13.1569
            18  N1y N    24.0085  -12.4570
            19  C1x C    22.7943  -13.1581
            20  C1x C    22.7943  -14.5580
            21  C1a C    24.0085  -11.0584
BOND        22
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     8   9 1
            8     9  10 1
            9     6  10 1
            10    8  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14    9  14 2
            15   10  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   15  20 1
            22   18  21 1

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