KEGG   DRUG: D07407Help
Entry
D07407                      Drug                                   

Name
Rupatadine (INN)
Formula
C26H26ClN3
Exact mass
415.1815
Mol weight
415.9577
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Drug group: 
Target
H1-receptor antagonist [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
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
     R06AX28 Rupatadine
      D07407  Rupatadine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H1-receptor
     Rupatadine
      D07407  Rupatadine (INN)
BRITE hierarchy
Other DBs
CAS: 
158876-82-5
PubChem: 
LigandBox: 
KCF data Show

ATOM        30
            1   C8y C    23.8358  -19.0372
            2   C2y C    25.0840  -18.4123
            3   C8y C    26.3587  -18.9926
            4   C8y C    26.6956  -20.3413
            5   C8y C    23.5518  -20.4173
            6   C1x C    25.8515  -21.4614
            7   C1x C    24.4504  -21.4913
            8   C8x C    22.7893  -18.1072
            9   C8x C    21.4607  -18.5485
            10  C8y C    21.1767  -19.9286
            11  C8x C    22.2232  -20.8586
            12  C8x C    28.0416  -20.7266
            13  C8x C    29.0482  -19.7536
            14  C8x C    28.7113  -18.4048
            15  N5x N    27.3653  -18.0196
            16  X   Cl   19.8721  -20.3624
            17  C2y C    25.0581  -17.0100
            18  C1x C    26.2588  -16.2869
            19  C1x C    26.2329  -14.8871
            20  N1y N    25.0078  -14.2096
            21  C1x C    23.8071  -14.9327
            22  C1x C    23.8329  -16.3325
            23  C1b C    24.9819  -12.8100
            24  C8y C    26.1872  -12.0842
            25  C8x C    27.4176  -12.7645
            26  C8y C    28.6169  -12.0421
            27  C8x C    28.6609  -10.6423
            28  N5x N    27.3604   -9.9620
            29  C8x C    26.1612  -10.6844
            30  C1a C    29.8336  -12.7551
BOND        34
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     1   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    5  11 2
            13    4  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    3  15 2
            18   10  16 1
            19    2  17 2
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   17  22 1
            26   20  23 1
            27   23  24 1
            28   24  25 2
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   24  29 1
            34   26  30 1

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