KEGG   DRUG: ProxyphyllineHelp
Entry
D01771                      Drug                                   

Name
Proxyphylline (JAN/INN);
Monophyllin (TN)
Formula
C10H14N4O3
Exact mass
238.1066
Mol weight
238.2432
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01616  Xanthine derivative
  DG01609  Xanthine-type bronchodilator
Remark
Therapeutic category: 2115
ATC code: R03DA03
Product: D01771<JP>
Product (mixture): D04307<JP>
Efficacy
Bronchodilator, Cardiotonic, Phosphodiesterase inhibitor
Comment
Xanthine derivative
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
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
     R03DA03 Proxyphylline
      D01771  Proxyphylline (JAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   211  Cardiotonics
    2115  Caffeines
     D01771  Proxyphylline (JAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Proxyphylline
    D01771  Proxyphylline (JAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA1
     D01771  Proxyphylline (JAN/INN) <JP>
    ADORA2
     D01771  Proxyphylline (JAN/INN) <JP>
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterase
    PDE
     D01771  Proxyphylline (JAN/INN) <JP>
Drug classes of therapeutic agents [br08360.html]
 Respiratory agents
  D01771
BRITE hierarchy
Other DBs
CAS: 603-00-9
PubChem: 7848834
ChEBI: 32070
ChEMBL: CHEMBL37390
LigandBox: D01771
NIKKAJI: J2.074E
LinkDB All DBs
KCF data Show

ATOM        17
            1   N4y N    31.3993  -16.0548
            2   C8y C    32.7383  -16.4757
            3   C8y C    32.7500  -17.8791
            4   C8y C    33.9664  -15.7800
            5   N4y N    33.9664  -18.5809
            6   N5x N    31.4167  -18.3294
            7   N4y N    35.1709  -16.4816
            8   O5x O    33.9664  -14.3824
            9   C8x C    30.5805  -17.2008
            10  C8y C    35.1709  -17.8791
            11  C1a C    33.9664  -19.9785
            12  C1a C    36.3814  -15.7857
            13  O5x O    36.3814  -18.5809
            14  C1b C    31.3993  -14.6548
            15  C1c C    30.1998  -13.9618
            16  C1a C    28.9792  -14.6662
            17  O1a O    30.2008  -12.5303
BOND        18
            1     2   3 2
            2     2   4 1
            3     2   1 1
            4     3   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     1   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    1  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 1

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