KEGG   DRUG: Buclizine
Entry
D07547                      Drug                                   
Name
Buclizine (INN);
Buclina (TN)
Formula
C28H33ClN2
Exact mass
432.2332
Mol weight
433.03
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
Same as: C07777
ATC code: R06AE01
Chemical structure group: DG01104
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
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AE Piperazine derivatives
     R06AE01 Buclizine
      D07547  Buclizine (INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01104  Buclizine
     D07547  Buclizine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D07547  Buclizine (INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01104  Buclizine
Other DBs
CAS: 82-95-1
PubChem: 51091869
ChEBI: 3205
LigandBox: D07547
NIKKAJI: J4.623J
LinkDB
KCF data

ATOM        31
            1   C1c C    22.1900  -21.4200
            2   N1y N    22.1900  -20.0200
            3   C8y C    20.9300  -22.1200
            4   C8y C    23.3800  -22.1200
            5   C1x C    20.9300  -19.3200
            6   C1x C    23.3800  -19.3200
            7   C8x C    20.9300  -23.5200
            8   C8x C    19.7400  -21.4200
            9   C8x C    23.3800  -23.5200
            10  C8x C    24.5700  -21.4200
            11  C1x C    20.9300  -17.9200
            12  C1x C    23.3800  -17.9200
            13  C8x C    19.7400  -24.2200
            14  C8x C    18.5500  -22.1200
            15  C8x C    24.5700  -24.2200
            16  C8x C    25.8300  -22.1200
            17  N1y N    22.1900  -17.2200
            18  C8y C    18.5500  -23.5200
            19  C8x C    25.8300  -23.5200
            20  C1b C    22.1900  -15.8200
            21  X   Cl   17.2900  -24.2200
            22  C8y C    23.3800  -15.1200
            23  C8x C    24.5700  -15.8200
            24  C8x C    23.3800  -13.7200
            25  C8x C    25.8300  -15.1200
            26  C8x C    24.5700  -13.0200
            27  C8y C    25.8300  -13.7200
            28  C1d C    27.0200  -13.0200
            29  C1a C    27.0200  -11.6200
            30  C1a C    27.7200  -14.2100
            31  C1a C    28.3500  -12.6700
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 2
            13    8  14 1
            14    9  15 1
            15   10  16 2
            16   11  17 1
            17   13  18 1
            18   15  19 2
            19   17  20 1
            20   18  21 1
            21   20  22 1
            22   22  23 2
            23   22  24 1
            24   23  25 1
            25   24  26 2
            26   25  27 2
            27   27  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 1
            31   12  17 1
            32   14  18 2
            33   16  19 1
            34   26  27 1

» Japanese version   » Back

KEGG   DRUG: Buclizine hydrochloride
Entry
D02089                      Drug                                   
Name
Buclizine hydrochloride (USAN);
Vibazine (TN)
Formula
C28H33ClN2. 2HCl
Exact mass
504.1866
Mol weight
505.94
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
ATC code: R06AE01
Chemical structure group: DG01104
Efficacy
Antiallergic, 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
     R06AE01 Buclizine
      D02089  Buclizine hydrochloride (USAN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01104  Buclizine
     D02089  Buclizine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D02089  Buclizine hydrochloride (USAN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01104  Buclizine
Other DBs
CAS: 129-74-8
PubChem: 7849150
ChEBI: 61193 61208
LigandBox: D02089
NIKKAJI: J422.607K
LinkDB
KCF data

ATOM        33
            1   C1c C    14.7471  -16.0735
            2   N1y N    14.7471  -14.6713
            3   C8y C    13.5312  -16.7833
            4   C8y C    15.9574  -16.7890
            5   C1x C    13.5312  -13.9789
            6   C1x C    15.9690  -13.9905
            7   C8x C    13.5370  -18.1854
            8   C8x C    12.3268  -16.0794
            9   C8x C    15.9515  -18.1854
            10  C8x C    17.1734  -16.0908
            11  C1x C    13.5020  -12.5884
            12  C1x C    15.9690  -12.5884
            13  C8x C    12.3268  -18.8836
            14  C8x C    11.1109  -16.7833
            15  C8x C    17.1618  -18.8895
            16  C8x C    18.3836  -16.8007
            17  N1y N    14.7647  -11.8902
            18  C8y C    11.1109  -18.1854
            19  C8x C    18.3778  -18.1971
            20  C1b C    14.7588  -10.4937
            21  X   Cl    9.9005  -18.8836
            22  C8y C    15.9690   -9.8014
            23  C8x C    17.1734  -10.4937
            24  C8x C    15.9690   -8.4050
            25  C8x C    18.3895   -9.8014
            26  C8x C    17.1792   -7.7009
            27  C8y C    18.3895   -8.4050
            28  C1d C    19.5938   -7.6893
            29  C1a C    19.5879   -6.2929
            30  C1a C    20.2803   -8.8996
            31  C1a C    20.9437   -7.3229
            32  X   Cl   23.6337  -11.3510
            33  X   Cl   23.6337  -12.9830
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 2
            13    8  14 1
            14    9  15 1
            15   10  16 2
            16   11  17 1
            17   13  18 1
            18   15  19 2
            19   17  20 1
            20   18  21 1
            21   20  22 1
            22   22  23 2
            23   22  24 1
            24   23  25 1
            25   24  26 2
            26   25  27 2
            27   27  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 1
            31   12  17 1
            32   14  18 2
            33   16  19 1
            34   26  27 1

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