KEGG   DRUG: Azatadine maleate
Entry
D00662                      Drug                                   
Name
Azatadine maleate (USP);
Optimine (TN)
Formula
C20H22N2. (C4H4O4)2
Exact mass
522.2002
Mol weight
522.5464
Structure
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
ATC code: R06AX09
Chemical structure group: DG01112
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
    R06AX Other antihistamines for systemic use
     R06AX09 Azatadine
      D00662  Azatadine maleate (USP)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01112  Azatadine
     D00662  Azatadine maleate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D00662  Azatadine maleate (USP)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG01112  Azatadine
Other DBs
CAS: 3978-86-7
PubChem: 7847728
ChEBI: 2947
LigandBox: D00662
NIKKAJI: J219.968H
KCF data

ATOM        38
            1   C2b C    31.8925  -14.7352
            2   C2b C    30.3466  -14.7412
            3   C6a C    32.5380  -15.8488
            4   C6a C    29.7070  -15.8606
            5   O6a O    31.8983  -16.9681
            6   O6a O    33.8293  -15.8428
            7   O6a O    28.4156  -15.8606
            8   O6a O    30.3585  -16.9741
            9   C1x C    21.3324  -20.1510
            10  C8y C    20.4913  -19.0427
            11  C8y C    20.8261  -17.6875
            12  C2y C    22.0857  -17.1101
            13  C1x C    22.7366  -20.1762
            14  C8y C    23.3378  -17.7317
            15  C8y C    23.6240  -19.0988
            16  C8x C    19.8202  -16.7203
            17  C8x C    18.4798  -17.1079
            18  C8x C    18.1450  -18.4631
            19  C8x C    19.1509  -19.4301
            20  C8x C    24.9536  -19.5354
            21  C8x C    25.9966  -18.6021
            22  C8x C    25.7105  -17.2350
            23  N5x N    24.3807  -16.7984
            24  C2y C    22.1071  -15.6769
            25  C1x C    23.3195  -14.9769
            26  C1x C    23.3195  -13.5769
            27  N1y N    22.1071  -12.8769
            28  C1x C    20.8946  -13.5769
            29  C1x C    20.8946  -14.9769
            30  C1a C    22.1071  -11.4801
            31  C2b C    31.8925  -14.7352
            32  C2b C    30.3466  -14.7412
            33  C6a C    29.7070  -15.8606
            34  O6a O    28.4156  -15.8606
            35  O6a O    30.3585  -16.9741
            36  C6a C    32.5380  -15.8488
            37  O6a O    31.8983  -16.9681
            38  O6a O    33.8293  -15.8428
BOND        39
            1    11  12 1
            2     9  13 1
            3    12  14 1
            4    10  11 1
            5    13  15 1
            6     9  10 1
            7    14  15 1
            8    11  16 2
            9    16  17 1
            10   17  18 2
            11   18  19 1
            12   10  19 2
            13   15  20 2
            14   20  21 1
            15   21  22 2
            16   22  23 1
            17   14  23 2
            18   12  24 2
            19   24  25 1
            20   25  26 1
            21   26  27 1
            22   27  28 1
            23   28  29 1
            24   24  29 1
            25   27  30 1
            26    1   2 2
            27    1   3 1
            28    2   4 1
            29    3   5 1
            30    3   6 2
            31    4   7 1
            32    4   8 2
            33   31  32 2
            34   31  36 1
            35   32  33 1
            36   36  37 1
            37   36  38 2
            38   33  34 1
            39   33  35 2
BRACKET     1    27.0900  -17.9900   27.0900  -14.0000
            1    34.4400  -14.0000   34.4400  -17.9900
            1  2
 ORIGINAL  1    1   2   4   7   8   3   5   6
 REPEAT    1   31  32  33  34  35  36  37  38

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Ontology (3)   
   KEGG BRITE (3)   
Pathway (1)   
   KEGG PATHWAY (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (11)   

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