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
461.8097
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
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
 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
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

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