KEGG   DRUG: Cetirizine hydrochloride
Entry
D00664                      Drug                                   

Name
Cetirizine hydrochloride (JP17/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 (P-GP) substrate
 DG02854  SLC22A2 (OCT2) substrate
Transporter inhibitor
 DG02863  SLC22A2 (OCT2) inhibitor
Remark
Therapeutic category: 4490
ATC code: R06AE07
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 (JP17/USP) <JP/US>
USP drug classification [BR:br08302]
 Ophthalmic Agents
  Ophthalmic Anti-allergy Agents
   Antihistamine
    Cetirizine
     D00664  Cetirizine hydrochloride (JP17/USP)
 Respiratory Tract/Pulmonary Agents
  Antihistamines
   Histamine (H1) Receptor Antagonists, Mildly/Non-sedating
    Cetirizine
     D00664  Cetirizine hydrochloride (JP17/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D00664  Cetirizine hydrochloride (JP17/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for otolaryngologic use
  69 Oral medicine for nasal inflammation
   D00664  Cetirizine hydrochloride (JP17/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Cetirizine
    D00664  Cetirizine hydrochloride (JP17/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D00664  Cetirizine hydrochloride (JP17/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
Other DBs
CAS: 83881-52-1
PubChem: 7847730
ChEBI: 3562
ChEMBL: CHEMBL1607273
DrugBank: DB00341
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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