KEGG   DRUG: D05711Help
Entry
D05711                      Drug                                   

Name
Regadenoson (USAN/INN);
Lexiscan (TN)
Product
Formula
C15H18N8O5
Exact mass
390.14
Mol weight
390.354
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Coronary vasodilator for intravenous use as an adjunct, or pharmacologic stress agent, in radionuclide myocardial perfusion imaging in patients unable to exercise adequately [A2A adenosine receptor agonist]
Remark
ATC code: 
Target
adenosine A2a receptor agonist [HSA:135] [KO:K04266]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction  
 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB21 Regadenoson
      D05711  Regadenoson (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    adenosine A2a receptor
     Regadenoson
      D05711  Regadenoson (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
313348-27-5
PubChem: 
LigandBox: 
KCF data Show

ATOM        28
            1   C1y C    13.3000   -9.9400
            2   C1y C    14.7000   -9.9400
            3   C1y C    15.1326   -8.6085
            4   O2x O    14.0000   -7.7856
            5   C1y C    12.8674   -8.6085
            6   O1a O    12.6000  -11.1524
            7   O1a O    15.4000  -11.1524
            8   N4y N    16.4522   -8.1797
            9   C1b C    11.5478   -8.1797
            10  O1a O    10.5035   -9.1199
            11  C8y C    17.4883   -9.1291
            12  C8y C    18.7107   -8.4382
            13  N5x N    18.4314   -7.0621
            14  C8x C    17.0363   -6.9025
            15  N5x N    17.4755  -10.5291
            16  C8y C    18.6814  -11.2401
            17  N5x N    19.9739  -10.5492
            18  C8y C    19.9167   -9.1493
            19  N1a N    21.1327   -8.4208
            20  N4y N    18.7214  -12.6695
            21  N5x N    17.5925  -13.5392
            22  C8x C    18.0709  -14.8816
            23  C8y C    19.4954  -14.9115
            24  C8x C    19.8974  -13.4743
            25  O5a O    19.4445  -17.3358
            26  C5a C    20.1698  -16.1383
            27  N1b N    21.5698  -16.1383
            28  C1a C    22.2813  -17.3699
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1 #Down
            7     2   7 1 #Down
            8     3   8 1 #Up
            9     5   9 1 #Up
            10    9  10 1
            11    8  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 2
            15    8  14 1
            16   11  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   12  18 2
            21   18  19 1
            22   16  20 1
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   20  24 1
            28   25  26 2
            29   23  26 1
            30   26  27 1
            31   27  28 1

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