KEGG   DRUG: Tazifylline hydrochloride
Entry
D06012                      Drug                                   
Name
Tazifylline hydrochloride (USAN)
Formula
C23H32N6O3S. 2HCl
Exact mass
544.179
Mol weight
545.5255
Structure
Class
Respiratory system agent
 DG01616  Xanthine derivative
  DG01609  Xanthine-type bronchodilator
Efficacy
Antihistaminic, H1 receptor antagonist
Comment
Xanthine derivative
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Interaction
Brite
Drug groups [BR:br08330]
 Respiratory system agent
  DG01616  Xanthine derivative
   DG01609  Xanthine-type bronchodilator
    D06012  Tazifylline hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D06012  Tazifylline hydrochloride (USAN)
Other DBs
CAS: 79712-53-1
PubChem: 47207670
LigandBox: D06012
LinkDB
KCF data

ATOM        35
            1   C8y C    38.0800  -22.7500
            2   N4y N    38.0800  -21.3500
            3   C8y C    36.8200  -20.6500
            4   C8y C    35.6300  -21.3500
            5   C8y C    35.6300  -22.7500
            6   N4y N    36.8200  -23.4500
            7   N4y N    34.3000  -20.9300
            8   C8x C    33.4600  -22.0500
            9   N5x N    34.3000  -23.2400
            10  O5x O    39.2700  -23.4500
            11  O5x O    36.8200  -19.2500
            12  C1a C    36.8200  -24.9200
            13  C1a C    39.2700  -20.6500
            14  C1b C    34.3000  -19.5300
            15  C1c C    33.0400  -18.8300
            16  C1b C    31.8500  -19.5300
            17  O1a O    33.0400  -17.4300
            18  N1y N    30.6600  -18.8300
            19  C1x C    30.6600  -17.4300
            20  C1x C    29.4700  -16.7300
            21  N1y N    28.2100  -17.4300
            22  C1x C    28.2100  -18.8300
            23  C1x C    29.4700  -19.5300
            24  C1b C    27.0200  -16.7300
            25  C1b C    25.8300  -17.4300
            26  C1b C    24.7100  -16.7300
            27  S2a S    23.5200  -17.4300
            28  C8y C    22.3300  -16.7300
            29  C8x C    22.3300  -15.3300
            30  C8x C    21.0700  -14.6300
            31  C8x C    19.8800  -15.3300
            32  C8x C    19.8800  -16.7300
            33  C8x C    21.0700  -17.4300
            34  X   Cl   27.5800  -23.1700
            35  X   Cl   27.5800  -23.1700
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    1  10 2
            12    3  11 2
            13    6  12 1
            14    2  13 1
            15    7  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 1
            19   16  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   18  23 1
            26   21  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   31  32 1
            35   32  33 2
            36   28  33 1
BRACKET     1    25.9700  -23.8000   25.9700  -22.1200
            1    28.2800  -22.1200   28.2800  -23.8000
            1  2
 ORIGINAL  1   34
 REPEAT    1   35

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