KEGG   DRUG: BamifyllineHelp
Entry
D07491                      Drug                                   

Name
Bamifylline (INN)
Formula
C20H27N5O3
Exact mass
385.2114
Mol weight
385.4601
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01616  Xanthine derivative
  DG01609  Xanthine-type bronchodilator
Remark
ATC code: R03DA08
Chemical structure group: DG01064
Efficacy
Bronchodilator, Cardiotonic, 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
Drug 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
      D07491  Bamifylline (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA1
     D07491  Bamifylline (INN)
BRITE hierarchy
Other DBs
CAS: 2016-63-9
PubChem: 51091816
ChEMBL: CHEMBL2110760
LigandBox: D07491
NIKKAJI: J7.850F
KCF data Show

ATOM        28
            1   C8y C    25.5500  -18.0600
            2   C8y C    25.5500  -19.5300
            3   C8y C    26.7400  -17.3600
            4   N4y N    24.2200  -17.6400
            5   N4y N    26.7400  -20.1600
            6   N5x N    24.2200  -19.9500
            7   N4y N    28.0000  -18.1300
            8   O5x O    26.7400  -15.9600
            9   C8y C    23.4500  -18.8300
            10  C8y C    28.0000  -19.4600
            11  C1a C    26.7400  -21.6300
            12  C1a C    29.1900  -17.4300
            13  O5x O    29.1900  -20.1600
            14  C1b C    21.9800  -18.8300
            15  C8y C    21.3500  -20.0200
            16  C8x C    19.8800  -20.0200
            17  C8x C    19.1800  -21.2100
            18  C8x C    19.9500  -22.4700
            19  C8x C    21.3500  -22.4000
            20  C8x C    22.0500  -21.2100
            21  C1b C    24.2200  -16.2400
            22  C1b C    23.0300  -15.5400
            23  N1c N    23.0300  -14.1400
            24  C1b C    24.2900  -13.4400
            25  C1b C    21.8400  -13.4400
            26  C1a C    25.4800  -14.1400
            27  C1b C    20.6500  -14.1400
            28  O1a O    19.4600  -13.4400
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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