KEGG   DRUG: D03535Help
Entry
D03535                      Drug                                   

Name
Clemastine (USAN)
Formula
C21H26ClNO
Exact mass
343.1703
Mol weight
343.8902
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihistaminic
Remark
Same as: 
ATC code: 
Drug group: 
Target
H1-receptor antagonist [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Drug interaction
Structure map
Histamine H1 receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
   D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
    D04AA Antihistamines for topical use
     D04AA14 Clemastine
      D03535  Clemastine (USAN)
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AA Aminoalkyl ethers
     R06AA04 Clemastine
      D03535  Clemastine (USAN)
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Antihistamines
   Clemastine
    D03535  Clemastine (USAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Category 2
  Inorganic and organic chemicals
   Clemastine
    D03535  Clemastine (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H1-receptor
     Clemastine
      D03535  Clemastine (USAN)
Cytochrome P450 interactions [BR:br08309]
 Inhbitors
  CYP2D6
   Clemastine
    D03535  Clemastine (USAN)
BRITE hierarchy
Other DBs
CAS: 
15686-51-8
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C1y C    12.6951  -14.0046
            2   N1y N    12.6951  -12.6046
            3   C1a C    11.4619  -11.8926
            4   C1x C    14.0266  -14.4373
            5   C1x C    14.8495  -13.3046
            6   C1x C    14.0266  -12.1720
            7   C8x C     5.4600  -16.8000
            8   C8y C     5.4600  -18.2000
            9   C8x C     6.6724  -18.9000
            10  C8x C     7.8849  -18.2000
            11  C8y C     7.8849  -16.8000
            12  C8x C     6.6724  -16.1000
            13  C1d C     9.0973  -16.1000
            14  X   Cl    4.2476  -18.9000
            15  O2a O     9.0973  -14.7000
            16  C1b C    10.3118  -13.9988
            17  C1b C    11.5083  -14.6898
            18  C8x C    10.3097  -18.2000
            19  C8y C    10.3097  -16.8000
            20  C8x C    11.5222  -18.9000
            21  C8x C    12.7346  -18.2000
            22  C8x C    12.7346  -16.8000
            23  C8x C    11.5222  -16.1000
            24  C1a C     7.8849  -15.4000
BOND        26
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     4   5 1
            5     5   6 1
            6     2   6 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12    7  12 1
            13   11  13 1
            14    8  14 1
            15   13  15 1
            16   15  16 1
            17   16  17 1
            18   18  19 1
            19   18  20 2
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   19  23 2
            24   13  19 1 #Down
            25   13  24 1 #Up
            26    1  17 1 #Down

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