KEGG   DRUG: DoxofyllineHelp
Entry
D03898                      Drug                                   

Name
Doxofylline (USAN/INN);
Maxivent (TN)
Formula
C11H14N4O4
Exact mass
266.1015
Mol weight
266.2533
Structure
Mol fileKCF fileDB search
Class
Other
 DG01616  Xanthine derivative
  DG01609  Xanthine-type bronchodilator
Remark
ATC code: R03DA11
Efficacy
Bronchodilator, Phosphodiesterase inhibitor
Comment
Xanthine derivative
Target
PDE2A [HSA:5138] [KO:K18283]
ADORA2A [HSA:135] [KO:K04266]
  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
     R03DA11 Doxofylline
      D03898  Doxofylline (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA2A
     D03898  Doxofylline (USAN/INN)
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterase
    PDE2A
     D03898  Doxofylline (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 69975-86-6
PubChem: 17397982
ChEBI: 94714
ChEMBL: CHEMBL1527608
LigandBox: D03898
NIKKAJI: J23.295E
LinkDB All DBs
KCF data Show

ATOM        19
            1   N4y N    22.0098  -16.1293
            2   C8y C    22.0098  -17.5262
            3   N4y N    20.8224  -18.2246
            4   C8y C    19.5653  -17.5262
            5   C8y C    19.5653  -16.1293
            6   C8y C    20.8224  -15.4309
            7   N5x N    18.2383  -17.9453
            8   C8x C    17.4700  -16.8278
            9   N4y N    18.2383  -15.7103
            10  O5x O    20.8224  -14.0341
            11  O5x O    23.1971  -18.2246
            12  C1b C    17.7839  -14.3894
            13  C1y C    16.3784  -14.1158
            14  O2x O    15.7797  -12.8300
            15  C1x C    14.3717  -13.0021
            16  C1x C    14.1003  -14.3943
            17  O2x O    15.3405  -15.0826
            18  C1a C    20.7693  -19.6120
            19  C1a C    23.2224  -15.4357
BOND        21
            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 2
            9     8   9 1
            10    5   9 1
            11    6  10 2
            12    2  11 2
            13    9  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   13  17 1
            20    3  18 1
            21    1  19 1

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