KEGG   DRUG: Cetirizine
Entry
D07662                      Drug                                   
Name
Cetirizine (INN);
Cetiderm (TN)
Formula
C21H25ClN2O3
Exact mass
388.1554
Mol weight
388.89
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Transporter substrate
 DG01665  ABCB1 substrate
 DG02854  SLC22A2 substrate
Transporter inhibitor
 DG02863  SLC22A2 inhibitor
Remark
Same as: C07778
ATC code: R06AE07 S01GX12
Chemical structure group: DG01107
Product (DG01107): D00664<JP/US>
Efficacy
Antiallergic, H1 receptor antagonist
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Metabolism
Transporter: ABCB1 [HSA:5243], SLC22A2 [HSA:6582]
Interaction
Transporter inhibition: SLC22A2 [HSA:6582]
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
     R06AE07 Cetirizine
      D07662  Cetirizine (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01G DECONGESTANTS AND ANTIALLERGICS
    S01GX Other antiallergics
     S01GX12 Cetirizine
      D07662  Cetirizine (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Cetirizine
    D07662  Cetirizine (INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01107  Cetirizine
     D07662  Cetirizine
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01107  Cetirizine
    D07662  Cetirizine
  DG02854  SLC22A2 substrate
   DG01107  Cetirizine
    D07662  Cetirizine
 Transporter inhibitor
  DG02863  SLC22A2 inhibitor
   DG01107  Cetirizine
    D07662  Cetirizine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D07662  Cetirizine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D07662
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01107  Cetirizine
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01107  Cetirizine
  DG02854  SLC22A2 substrate
   DG01107  Cetirizine
 Transporter inhibitor
  DG02863  SLC22A2 inhibitor
   DG01107  Cetirizine
Other DBs
CAS: 83881-51-0
PubChem: 51091966
ChEBI: 3561
LigandBox: D07662
NIKKAJI: J23.322F
LinkDB
KCF data

ATOM        27
            1   C8x C    19.9500  -20.4400
            2   C8y C    19.9500  -21.8400
            3   C8x C    21.2100  -22.5400
            4   C8x C    22.4000  -21.8400
            5   C8y C    22.4000  -20.4400
            6   C8x C    21.2100  -19.7400
            7   C8x C    24.8500  -21.8400
            8   C8y C    24.8500  -20.4400
            9   C1c C    23.5900  -19.7400
            10  C8x C    26.0400  -22.5400
            11  C8x C    27.2300  -21.8400
            12  C8x C    27.2300  -20.4400
            13  C8x C    26.0400  -19.7400
            14  N1y N    23.5900  -18.3400
            15  C1x C    24.8500  -17.6400
            16  C1x C    24.8500  -16.2400
            17  N1y N    23.5900  -15.4700
            18  C1x C    22.4000  -16.2400
            19  C1x C    22.4000  -17.6400
            20  X   Cl   18.7600  -22.5400
            21  C1b C    23.5900  -14.0700
            22  C1b C    24.8500  -13.3700
            23  O2a O    26.0400  -14.0700
            24  C1b C    27.2300  -13.4400
            25  C6a C    28.4200  -14.0700
            26  O6a O    29.6100  -13.4400
            27  O6a O    28.4200  -15.5400
BOND        29
            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    2  20 1
            23   17  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   25  27 2

» Japanese version   » Back

KEGG   DRUG: Cetirizine hydrochloride
Entry
D00664                      Drug                                   
Name
Cetirizine hydrochloride (JP18/USP);
Zyrtec (TN)
Product
  Generic
Formula
C21H25ClN2O3. 2HCl
Exact mass
460.1087
Mol weight
461.80
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Dermatological agent
 DG03243  Atopic dermatitis agent
Transporter substrate
 DG01665  ABCB1 substrate
 DG02854  SLC22A2 substrate
Transporter inhibitor
 DG02863  SLC22A2 inhibitor
Remark
Therapeutic category: 4490
ATC code: R06AE07 S01GX12
Chemical structure group: DG01107
Product (DG01107): D00664<JP/US>
Efficacy
Antiallergic, H1 receptor antagonist
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Metabolism
Transporter: ABCB1 [HSA:5243], SLC22A2 [HSA:6582]
Interaction
Transporter inhibition: SLC22A2 [HSA:6582]
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
     R06AE07 Cetirizine
      D00664  Cetirizine hydrochloride (JP18/USP) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01G DECONGESTANTS AND ANTIALLERGICS
    S01GX Other antiallergics
     S01GX12 Cetirizine
      D00664  Cetirizine hydrochloride (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Ophthalmic Agents
  Ophthalmic Anti-allergy Agents
   Antihistamine
    Cetirizine
     D00664  Cetirizine hydrochloride (JP18/USP)
 Respiratory Tract/Pulmonary Agents
  Antihistamines
   Histamine (H1) Receptor Antagonists, Mildly/Non-sedating
    Cetirizine
     D00664  Cetirizine hydrochloride (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D00664  Cetirizine hydrochloride (JP18/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for otolaryngologic use
  69 Oral medicine for nasal inflammation
   D00664  Cetirizine hydrochloride (JP18/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Cetirizine
    D00664  Cetirizine hydrochloride (JP18/USP)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01107  Cetirizine
     D00664  Cetirizine hydrochloride
 Dermatological agent
  DG03243  Atopic dermatitis agent
   D00664  Cetirizine hydrochloride
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01107  Cetirizine
    D00664  Cetirizine hydrochloride
  DG02854  SLC22A2 substrate
   DG01107  Cetirizine
    D00664  Cetirizine hydrochloride
 Transporter inhibitor
  DG02863  SLC22A2 inhibitor
   DG01107  Cetirizine
    D00664  Cetirizine hydrochloride
Drug classes [BR:br08332]
 Anti-allergic agent
  DG01482  Histamine receptor H1 antagonist
   D00664  Cetirizine hydrochloride
 Dermatological agent
  DG03243  Atopic dermatitis agent
   D00664  Cetirizine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D00664  Cetirizine hydrochloride (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00664  Cetirizine hydrochloride
  D00664  Cetirizine hydrochloride tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D00664
Rx-to-OTC switch list in the USA [br08315.html]
 D00664
Rx-to-OTC switch list in Japan [br08314.html]
 D00664
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01107  Cetirizine
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01107  Cetirizine
  DG02854  SLC22A2 substrate
   DG01107  Cetirizine
 Transporter inhibitor
  DG02863  SLC22A2 inhibitor
   DG01107  Cetirizine
Other DBs
CAS: 83881-52-1
PubChem: 7847730
ChEBI: 3562
LigandBox: D00664
NIKKAJI: J561.977G
LinkDB
KCF data

ATOM        29
            1   C8x C    22.3396  -18.4537
            2   C8y C    22.3396  -19.8566
            3   C8x C    23.5544  -20.5580
            4   C8x C    24.7694  -19.8566
            5   C8y C    24.7694  -18.4537
            6   C8x C    23.5544  -17.7523
            7   C8x C    27.1992  -19.8566
            8   C8y C    27.1992  -18.4537
            9   C1c C    25.9843  -17.7523
            10  C8x C    28.4141  -20.5580
            11  C8x C    29.6290  -19.8566
            12  C8x C    29.6290  -18.4537
            13  C8x C    28.4141  -17.7523
            14  N1y N    25.9843  -16.3494
            15  C1x C    27.2013  -15.6468
            16  C1x C    27.2013  -14.2439
            17  N1y N    25.9863  -13.5425
            18  C1x C    24.7694  -14.2451
            19  C1x C    24.7694  -15.6480
            20  X   Cl   21.1247  -20.5580
            21  C1b C    25.9863  -12.1408
            22  C1b C    27.2018  -11.4391
            23  O2a O    28.3999  -12.1310
            24  C1b C    29.5895  -11.4443
            25  C6a C    30.7833  -12.1337
            26  O6a O    31.9752  -11.4456
            27  O6a O    30.7833  -13.5434
            28  X   Cl   31.6686  -16.0688
            29  X   Cl   31.6686  -16.0688
BOND        29
            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    2  20 1
            23   17  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   25  27 2
BRACKET     1    30.2400  -16.8000   30.2400  -15.2600
            1    32.3400  -15.2600   32.3400  -16.8000
            1  2
 ORIGINAL  1   28
 REPEAT    1   29

» Japanese version   » Back

KEGG   DRUG: Levocetirizine
Entry
D07402                      Drug                                   
Name
Levocetirizine (USAN/INN);
Xazal (TN)
Formula
C21H25ClN2O3
Exact mass
388.1554
Mol weight
388.89
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: R06AE09
Chemical structure group: DG01108
Product (DG01108): D08118<JP/US>
Efficacy
Antiallergic, H1 receptor antagonist
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Metabolism
Enzyme: CYP3A4 [HSA:1576]
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
     R06AE09 Levocetirizine
      D07402  Levocetirizine (USAN/INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01108  Levocetirizine
     D07402  Levocetirizine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01108  Levocetirizine
     D07402  Levocetirizine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D07402  Levocetirizine (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07402
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01108  Levocetirizine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01108  Levocetirizine
Other DBs
CAS: 130018-77-8
PubChem: 51091738
PDB-CCD: LCR[PDBj]
LigandBox: D07402
NIKKAJI: J1.370.778B
LinkDB
KCF data

ATOM        27
            1   C8x C    22.6800  -20.9300
            2   C8y C    22.6800  -22.3300
            3   C8x C    23.9400  -23.0300
            4   C8x C    25.1300  -22.3300
            5   C8y C    25.1300  -20.9300
            6   C8x C    23.9400  -20.2300
            7   C8x C    27.5800  -22.3300
            8   C8y C    27.5800  -20.9300
            9   C1c C    26.3200  -20.2300
            10  C8x C    28.7700  -23.0300
            11  C8x C    29.9600  -22.3300
            12  C8x C    29.9600  -20.9300
            13  C8x C    28.7700  -20.2300
            14  N1y N    26.3200  -18.8300
            15  C1x C    27.5800  -18.1300
            16  C1x C    27.5800  -16.7300
            17  N1y N    26.3200  -15.9600
            18  C1x C    25.1300  -16.7300
            19  C1x C    25.1300  -18.1300
            20  X   Cl   21.4900  -23.0300
            21  C1b C    26.3200  -14.5600
            22  C1b C    27.5800  -13.8600
            23  O2a O    28.7700  -14.5600
            24  C1b C    29.9600  -13.9300
            25  C6a C    31.1500  -14.5600
            26  O6a O    32.3400  -13.9300
            27  O6a O    31.1500  -16.0300
BOND        29
            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     9   8 1 #Down
            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    2  20 1
            23   17  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   25  27 2

» Japanese version   » Back

KEGG   DRUG: Levocetirizine dihydrochloride
Entry
D08118                      Drug                                   
Name
Levocetirizine dihydrochloride (USP);
Levocetirizine hydrochloride (JAN);
Xyzal (TN)
Product
  Generic
LEVOCETIRIZINE DIHYDROCHLORIDE (A-S Medication Solutions), LEVOCETIRIZINE DIHYDROCHLORIDE (A-S Medication Solutions), LEVOCETIRIZINE DIHYDROCHLORIDE (Bryant Ranch Prepack), LEVOCETIRIZINE DIHYDROCHLORIDE (Bryant Ranch Prepack), LEVOCETIRIZINE DIHYDROCHLORIDE (Bryant Ranch Prepack), LEVOCETIRIZINE DIHYDROCHLORIDE (Bryant Ranch Prepack), LEVOCETIRIZINE DIHYDROCHLORIDE (Bryant Ranch Prepack), LEVOCETIRIZINE DIHYDROCHLORIDE (Bryant Ranch Prepack), LEVOCETIRIZINE DIHYDROCHLORIDE (Bryant Ranch Prepack), LEVOCETIRIZINE DIHYDROCHLORIDE (Bryant Ranch Prepack), LEVOCETIRIZINE DIHYDROCHLORIDE (Camber Pharmaceuticals), LEVOCETIRIZINE DIHYDROCHLORIDE (Camber Pharmaceuticals), LEVOCETIRIZINE DIHYDROCHLORIDE (Chartwell RX), LEVOCETIRIZINE DIHYDROCHLORIDE (Dr.Reddy's laboratories), LEVOCETIRIZINE DIHYDROCHLORIDE (Glenmark Pharmaceuticals), LEVOCETIRIZINE DIHYDROCHLORIDE (Golden State Medical Supply), LEVOCETIRIZINE DIHYDROCHLORIDE (Macleods Pharmaceuticals Limited), LEVOCETIRIZINE DIHYDROCHLORIDE (Marlex Pharmaceuticals), LEVOCETIRIZINE DIHYDROCHLORIDE (Micro Labs Limited), LEVOCETIRIZINE DIHYDROCHLORIDE (Northwind Pharmaceuticals), LEVOCETIRIZINE DIHYDROCHLORIDE (Northwind Pharmaceuticals), LEVOCETIRIZINE DIHYDROCHLORIDE (NuCare Pharmaceuticals), LEVOCETIRIZINE DIHYDROCHLORIDE (NuCare Pharmaceuticals), LEVOCETIRIZINE DIHYDROCHLORIDE (PD-Rx Pharmaceuticals), LEVOCETIRIZINE DIHYDROCHLORIDE (PD-Rx Pharmaceuticals), LEVOCETIRIZINE DIHYDROCHLORIDE (Padagis Israel Pharmaceuticals), LEVOCETIRIZINE DIHYDROCHLORIDE (Preferred Pharmaceuticals), LEVOCETIRIZINE DIHYDROCHLORIDE (Preferred Pharmaceuticals), LEVOCETIRIZINE DIHYDROCHLORIDE (Proficient Rx LP), LEVOCETIRIZINE DIHYDROCHLORIDE (Proficient Rx LP), LEVOCETIRIZINE DIHYDROCHLORIDE (Proficient Rx LP), LEVOCETIRIZINE DIHYDROCHLORIDE (Proficient Rx LP), LEVOCETIRIZINE DIHYDROCHLORIDE (Proficient Rx LP), LEVOCETIRIZINE DIHYDROCHLORIDE (Proficient Rx LP), LEVOCETIRIZINE DIHYDROCHLORIDE (ScieGen Pharmaceuticals), LEVOCETIRIZINE DIHYDROCHLORIDE (Taro Pharmaceuticals U.S.A.), LEVOCETIRIZINE DIHYDROCHLORIDE (Teva Pharmaceuticals USA), LEVOCETIRIZINE DIHYDROCHLORIDE (Vensun Pharmaceuticals), LEVOCETIRIZINE DIHYDROCHLORIDE (Westminster Pharmaceuticals)
Formula
C21H25ClN2O3. 2HCl
Exact mass
460.1087
Mol weight
461.80
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Dermatological agent
 DG03243  Atopic dermatitis agent
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4490
ATC code: R06AE09
Chemical structure group: DG01108
Product (DG01108): D08118<JP/US>
Efficacy
Antiallergic, H1 receptor antagonist
  Disease
Allergic rhinitis [DS:H01360]
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Metabolism
Enzyme: CYP3A4 [HSA:1576]
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
     R06AE09 Levocetirizine
      D08118  Levocetirizine dihydrochloride (USP) <JP/US>
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Antihistamines
   Histamine (H1) Receptor Antagonists, Mildly/Non-sedating
    Levocetirizine
     D08118  Levocetirizine dihydrochloride (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D08118  Levocetirizine dihydrochloride (USP); Levocetirizine hydrochloride (JAN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01108  Levocetirizine
     D08118  Levocetirizine dihydrochloride
 Dermatological agent
  DG03243  Atopic dermatitis agent
   D08118  Levocetirizine dihydrochloride
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01108  Levocetirizine
     D08118  Levocetirizine dihydrochloride
Drug classes [BR:br08332]
 Anti-allergic agent
  DG01482  Histamine receptor H1 antagonist
   D08118  Levocetirizine dihydrochloride
 Dermatological agent
  DG03243  Atopic dermatitis agent
   D08118  Levocetirizine dihydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D08118  Levocetirizine dihydrochloride (USP) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D08118
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08118
Rx-to-OTC switch list in the USA [br08315.html]
 D08118
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01108  Levocetirizine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01108  Levocetirizine
Other DBs
CAS: 130018-87-0
PubChem: 96024808
LigandBox: D08118
LinkDB
KCF data

ATOM        29
            1   C8x C    21.4819  -20.8517
            2   C8y C    21.4819  -22.2511
            3   C8x C    22.7413  -22.9508
            4   C8x C    23.9309  -22.2511
            5   C8y C    23.9309  -20.8517
            6   C8x C    22.7413  -20.1519
            7   C8x C    26.3799  -22.2511
            8   C8y C    26.3799  -20.8517
            9   C1c C    25.1204  -20.1519
            10  C8x C    27.5694  -22.9508
            11  C8x C    28.7589  -22.2511
            12  C8x C    28.7589  -20.8517
            13  C8x C    27.5694  -20.1519
            14  N1y N    25.1204  -18.7525
            15  C1x C    26.3799  -18.0528
            16  C1x C    26.3799  -16.6534
            17  N1y N    25.1204  -15.8837
            18  C1x C    23.9309  -16.6534
            19  C1x C    23.9309  -18.0528
            20  X   Cl   20.2923  -22.9508
            21  C1b C    25.1204  -14.4843
            22  C1b C    26.3799  -13.7845
            23  O2a O    27.5694  -14.4843
            24  C1b C    28.7589  -13.8545
            25  C6a C    29.9484  -14.4843
            26  O6a O    31.1379  -13.8545
            27  O6a O    29.9484  -15.9537
            28  X   Cl   31.9074  -18.9624
            29  X   Cl   31.8376  -21.1315
BOND        29
            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     9   8 1 #Down
            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    2  20 1
            23   17  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   25  27 2

» Japanese version   » Back

DBGET integrated database retrieval system