KEGG   DRUG: Bamifylline hydrochloride
Entry
D03051                      Drug                                   
Name
Bamifylline hydrochloride (USAN)
Formula
C20H27N5O3. HCl
Exact mass
421.1881
Mol weight
421.921
Structure
Simcomp
Class
Respiratory system agent
 DG01616  Xanthine derivative
  DG01609  Xanthine-type bronchodilator
Remark
ATC code: R03DA08
Chemical structure group: DG01064
Efficacy
Bronchodilator, Adenosine A1 receptor antagonist
Comment
Xanthine derivative
Target
ADORA1 [HSA:134] [KO:K04265]
  Pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03D OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
    R03DA Xanthines
     R03DA08 Bamifylline
      D03051  Bamifylline hydrochloride (USAN)
Drug groups [BR:br08330]
 Respiratory system agent
  DG01616  Xanthine derivative
   DG01609  Xanthine-type bronchodilator
    DG01064  Bamifylline
     D03051  Bamifylline hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA1
     D03051  Bamifylline hydrochloride (USAN)
Drug groups [BR:br08330]
 Respiratory system agent
  DG01616  Xanthine derivative
   DG01609  Xanthine-type bronchodilator
    DG01064  Bamifylline
Other DBs
CAS: 20684-06-4
PubChem: 17397206
LigandBox: D03051
NIKKAJI: J231.365K
LinkDB
KCF data

ATOM        29
            1   C8y C    24.5474  -18.8272
            2   C8y C    24.5474  -20.2518
            3   C8y C    25.7502  -18.1208
            4   N4y N    23.2454  -18.3951
            5   N4y N    25.7502  -20.9349
            6   N5x N    23.2454  -20.6839
            7   N4y N    26.9705  -18.8564
            8   O5x O    25.7502  -16.7428
            9   C8y C    22.4280  -19.5512
            10  C8y C    26.9705  -20.1994
            11  C1a C    25.7502  -22.3655
            12  C1a C    28.2200  -18.1791
            13  O5x O    28.2200  -20.8999
            14  C1b C    21.0101  -19.5582
            15  C8y C    20.3236  -20.7609
            16  C8x C    18.9090  -20.7681
            17  C8x C    18.2147  -21.9850
            18  C8x C    18.9214  -23.1946
            19  C8x C    20.3361  -23.1874
            20  C8x C    21.0304  -21.9705
            21  C1b C    23.2454  -16.9951
            22  C1b C    22.0354  -16.2965
            23  N1c N    22.0356  -14.9101
            24  C1b C    23.2589  -14.2039
            25  C1b C    20.8340  -14.2162
            26  C1a C    24.4597  -14.8973
            27  C1b C    19.6438  -14.9034
            28  O1a O    18.4540  -14.2163
            29  X   Cl   32.9187  -21.0806
BOND        30
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    7  12 1
            12   10  13 2
            13    6   9 2
            14    7  10 1
            15    9  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23    4  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   23  25 1
            28   24  26 1
            29   25  27 1
            30   27  28 1

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